data_1qpm_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 1qpm _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 ' 14' ' ' SER . . . . . 0.419 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -132.62 129.99 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CE3' ' OD1' ' A' ' 61' ' ' ASP . 29.0 m95 -139.95 130.85 26.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.6 m -130.04 141.63 50.71 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.362 -0.836 . . . . 0.0 110.035 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.01 158.02 86.28 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.897 . . . . 0.0 109.463 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.51 -26.89 74.0 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.813 2.342 . . . . 0.0 112.655 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -59.95 -44.43 94.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.987 -1.07 . . . . 0.0 108.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 40.0 mp0 -68.33 -40.1 81.73 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.255 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 82.9 mt -68.9 -54.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.337 -0.852 . . . . 0.0 110.546 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -14.29 46.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.752 -1.218 . . . . 0.0 110.33 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.42 -6.24 57.76 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.15 131.19 35.68 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 108.577 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.2 -24.16 50.23 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.505 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 8.1 mtt -121.8 80.13 40.77 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.539 -0.977 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.85 168.85 17.12 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.814 2.343 . . . . 0.0 112.564 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.24 165.47 28.74 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -70.03 -168.31 0.2 Allowed 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.985 -1.303 . . . . 0.0 108.955 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.26 -46.59 88.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.187 -0.945 . . . . 0.0 109.294 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.665 -1.272 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.99 -40.2 50.26 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.33 -40.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.209 -1.171 . . . . 0.0 108.162 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.583 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 61.7 m80 -59.97 -33.93 72.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.814 . . . . 0.0 109.092 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 66.9 t80 -59.54 -47.45 85.47 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 109.227 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -65.02 -40.4 94.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.752 -1.218 . . . . 0.0 108.884 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.75 1.57 8.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.601 -0.687 . . . . 0.0 110.444 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.522 ' ND2' ' C ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -74.89 -37.69 62.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.946 -1.097 . . . . 0.0 109.176 179.472 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 74.8 t -69.9 -58.09 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.661 -0.65 . . . . 0.0 111.065 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.05 159.73 26.07 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.183 . . . . 0.0 110.607 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.55 69.4 2.51 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD2' ' SD ' ' A' ' 65' ' ' MET . 14.5 m0 -59.69 146.77 40.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.641 -0.917 . . . . 0.0 110.025 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.4 m -76.93 121.21 23.13 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -128.47 150.29 50.21 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.756 -0.59 . . . . 0.0 109.543 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.475 -0.766 . . . . 0.0 109.016 179.25 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -133.03 158.23 43.25 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.448 -0.783 . . . . 0.0 110.169 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.9 m-85 -129.41 149.71 51.08 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' CE3' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -95.03 112.04 23.79 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.019 -1.051 . . . . 0.0 109.153 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.45 -24.46 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 110.464 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.8 tpp -70.34 -15.53 62.88 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.198 -0.939 . . . . 0.0 110.258 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.5 p -99.67 -8.53 24.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.881 -1.137 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.482 ' SD ' ' CD2' ' A' ' 44' ' ' TRP . 15.6 mmt -78.58 146.57 69.78 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.083 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -41.55 155.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.677 1.585 . . . . 0.0 111.714 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.0 m -59.98 -39.92 87.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.999 -1.063 . . . . 0.0 109.192 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.34 -42.78 78.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 108.771 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.24 -38.67 91.89 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -58.84 -39.29 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.619 -0.675 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.956 -1.09 . . . . 0.0 109.002 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -62.11 -40.01 94.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.471 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.68 -49.86 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.713 -1.242 . . . . 0.0 109.022 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -60.65 -40.03 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.23 88.79 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.389 -0.819 . . . . 0.0 109.422 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 108.849 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.395 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.88 133.46 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -143.14 136.6 28.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.131 -0.98 . . . . 0.0 109.587 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.87 137.71 49.48 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.262 -0.899 . . . . 0.0 110.637 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.613 ' HG ' ' N ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -75.25 159.87 81.33 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.451 -0.781 . . . . 0.0 109.12 179.105 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.613 ' N ' ' HG ' ' A' ' 18' ' ' SER . 12.4 Cg_endo -54.2 -35.16 81.89 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.189 1.926 . . . . 0.0 111.843 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 12.4 pt20 -60.09 -43.71 95.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.672 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 95.7 mt-10 -62.35 -41.12 98.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.279 -0.888 . . . . 0.0 108.687 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.7 -44.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 31' ' ' SER . 38.7 mmm -48.17 -25.4 1.47 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.326 -0.859 . . . . 0.0 110.147 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 -10.14 59.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.917 -1.115 . . . . 0.0 109.718 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 117.08 24.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.108 -0.995 . . . . 0.0 109.807 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 34.4 p-10 -61.62 -33.13 73.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -54.95 -29.91 52.5 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -119.4 84.29 28.57 Favored Pre-proline 0 N--CA 1.499 2.02 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.62 172.39 11.32 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.815 2.343 . . . . 0.0 112.886 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.61 160.79 24.96 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' SD ' ' A' ' 23' ' ' MET . 55.7 p -71.69 -165.86 0.18 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.029 -1.277 . . . . 0.0 108.968 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.57 -50.14 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.905 -1.122 . . . . 0.0 109.004 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.76 88.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.747 -1.221 . . . . 0.0 108.593 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.17 -41.95 71.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.47 -42.62 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.195 -1.179 . . . . 0.0 107.964 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.578 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 67.0 m80 -60.05 -38.28 82.3 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.654 -0.654 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -57.21 -49.29 76.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.16 -0.963 . . . . 0.0 108.966 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' NH1' ' HG3' ' A' ' 38' ' ' ARG . 38.9 ttm-85 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.939 -1.1 . . . . 0.0 108.77 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.57 9.58 4.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.384 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -76.19 -51.73 11.52 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.877 -1.139 . . . . 0.0 109.211 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.4 -40.11 77.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.656 -0.653 . . . . 0.0 109.889 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.36 153.89 31.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.725 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.93 63.96 1.47 Allowed Glycine 0 N--CA 1.498 2.777 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -62.19 148.55 44.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -1.143 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -78.75 130.49 35.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.0 mtpm? -133.06 150.24 52.12 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.4 -0.812 . . . . 0.0 110.448 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.734 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.9 mp0 -135.19 159.23 42.19 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.827 -1.171 . . . . 0.0 111.964 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.578 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 86.0 m-85 -129.43 144.6 51.31 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' SD ' ' A' ' 65' ' ' MET . 54.7 t0 -94.99 117.02 29.44 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.841 -1.162 . . . . 0.0 109.23 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.27 -21.96 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.162 -0.961 . . . . 0.0 109.976 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.6 mmt -75.06 1.95 11.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.343 -0.848 . . . . 0.0 111.07 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.474 ' HG ' ' N ' ' A' ' 65' ' ' MET . 6.4 p -107.03 -27.62 10.52 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.987 -1.07 . . . . 0.0 110.456 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.474 ' N ' ' HG ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -82.36 155.15 69.32 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.68 -1.262 . . . . 0.0 108.543 178.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 65' ' ' MET . 87.6 Cg_exo -40.88 164.75 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.942 1.761 . . . . 0.0 111.952 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.9 p -70.23 -26.46 63.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.159 -0.963 . . . . 0.0 110.799 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.93 -42.92 95.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.944 -1.098 . . . . 0.0 110.255 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -66.4 -38.91 88.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.805 -1.184 . . . . 0.0 109.941 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -59.44 -42.99 93.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.985 . . . . 0.0 110.585 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.14 -40.01 88.33 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.929 -1.107 . . . . 0.0 108.836 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -66.87 -39.98 87.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.4 t -69.71 -44.62 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.197 -0.94 . . . . 0.0 109.494 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.56 -43.22 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.167 -0.958 . . . . 0.0 109.794 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.65 95.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.709 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -62.31 -42.1 99.08 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.205 -0.934 . . . . 0.0 108.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 109.799 179.578 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.382 0.61 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.4 mt -130.16 131.41 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -140.55 130.89 25.15 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -135.16 150.07 50.09 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.163 -0.961 . . . . 0.0 110.89 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 162.67 72.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.314 -0.866 . . . . 0.0 109.17 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.66 -27.86 76.38 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.013 1.809 . . . . 0.0 111.716 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.81 -41.98 92.44 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.848 -1.158 . . . . 0.0 108.088 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.46 -40.41 91.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.426 HG22 HD12 ' A' ' 22' ' ' ILE . 95.7 mt -69.48 -46.32 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.166 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 89.5 mtp -47.33 -25.59 1.04 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.892 -1.13 . . . . 0.0 110.188 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.87 -8.17 59.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.975 -1.078 . . . . 0.0 109.305 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.3 118.72 24.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.101 -1.0 . . . . 0.0 109.906 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.03 -39.93 91.68 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -54.05 -16.54 6.3 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 mtt -130.07 79.09 73.62 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.465 -1.021 . . . . 0.0 108.557 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -79.71 170.57 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.74 2.294 . . . . 0.0 112.866 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.37 158.31 25.98 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 p -70.86 -166.24 0.14 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.027 -1.278 . . . . 0.0 108.711 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -55.63 -48.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.82 -1.175 . . . . 0.0 108.927 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.13 84.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.074 -1.017 . . . . 0.0 109.553 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.08 94.01 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.09 -42.25 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.865 -1.373 . . . . 0.0 107.872 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.555 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 29.8 m80 -60.65 -31.04 70.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.656 -0.652 . . . . 0.0 109.811 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -59.71 -49.64 76.96 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.027 -1.045 . . . . 0.0 108.997 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.545 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 51.5 mtp180 -62.64 -40.84 98.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.91 -1.119 . . . . 0.0 109.574 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.14 40.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.828 . . . . 0.0 109.956 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.69 -48.02 42.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 108.36 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.97 -44.13 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -80.65 157.55 25.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 0.0 110.41 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.11 70.08 0.24 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -65.17 157.17 29.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -1.052 . . . . 0.0 109.633 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -79.56 118.99 21.92 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -129.06 159.9 34.47 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.934 0.873 . . . . 0.0 111.136 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 177.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -127.6 145.0 51.02 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.195 -0.941 . . . . 0.0 110.592 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.555 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.1 m-85 -119.46 140.9 49.7 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.825 -0.547 . . . . 0.0 109.612 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 18.4 p-10 -99.25 125.31 44.84 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.227 -0.92 . . . . 0.0 109.57 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.78 -18.63 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -75.72 8.39 3.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.649 -1.282 . . . . 0.0 111.07 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.8 p -107.02 -24.04 12.12 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.005 -1.059 . . . . 0.0 111.285 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -78.24 159.49 75.19 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 120.462 -1.399 . . . . 0.0 109.232 179.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.92 171.11 11.62 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.39 2.06 . . . . 0.0 111.534 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.403 ' HG1' ' N ' ' A' ' 68' ' ' LYS . 61.2 p -60.76 -39.95 90.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.935 -1.103 . . . . 0.0 111.702 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' N ' ' HG1' ' A' ' 67' ' ' THR . 88.0 tttt -56.84 -49.92 73.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 0.0 110.012 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 4.6 mp0 -67.74 -37.56 82.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.024 -1.047 . . . . 0.0 110.153 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -59.41 -39.79 84.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.572 -1.33 . . . . 0.0 109.426 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.26 -40.08 89.09 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.057 -1.027 . . . . 0.0 108.881 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -65.16 -39.59 93.15 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.214 -0.929 . . . . 0.0 108.618 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -70.21 -50.12 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.875 . . . . 0.0 109.52 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.25 -39.94 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.71 77.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.803 . . . . 0.0 109.75 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -63.15 -41.92 99.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 108.917 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--N 1.303 -1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 108.71 179.415 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.435 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.6 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 97.8 mt -132.47 130.55 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.435 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 44.9 m95 -141.1 140.1 34.1 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.322 -0.861 . . . . 0.0 108.837 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -130.06 139.05 51.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.296 -0.878 . . . . 0.0 110.312 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -73.04 153.25 90.82 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.476 -0.765 . . . . 0.0 108.997 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' MET . 7.1 Cg_endo -49.21 -34.98 32.69 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.957 1.771 . . . . 0.0 111.571 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.89 -47.29 86.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.03 -43.17 83.48 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.265 -0.897 . . . . 0.0 108.939 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.515 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 85.9 mt -71.38 -53.36 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.423 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' PRO . 12.7 tmm? -51.29 -20.96 1.87 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.922 -1.111 . . . . 0.0 110.224 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -5.8 51.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.719 -1.238 . . . . 0.0 108.784 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.45 127.95 33.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.94 -10.23 3.43 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.515 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 5.8 mtt -130.32 81.37 68.45 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.452 -1.028 . . . . 0.0 108.699 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 60.5 Cg_endo -82.37 161.15 17.38 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 123.108 2.539 . . . . 0.0 113.484 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.62 23.49 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.242 -1.943 . . . . 0.0 108.242 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -70.42 -170.06 0.36 Allowed 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.802 -1.411 . . . . 0.0 108.643 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.79 -43.32 87.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.219 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.66 83.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.834 -1.166 . . . . 0.0 109.2 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.42 88.22 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.94 -42.34 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.244 -1.15 . . . . 0.0 108.176 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 45.2 m80 -60.71 -34.31 74.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.616 -0.678 . . . . 0.0 109.629 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.25 -52.6 64.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.157 -0.965 . . . . 0.0 110.045 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -70.19 -39.78 75.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.606 -1.309 . . . . 0.0 109.403 178.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.546 -1.346 . . . . 0.0 109.23 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.25 -40.06 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.434 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 95.8 mt-30 -80.05 152.52 29.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.333 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.91 58.31 5.04 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 16.1 m0 -73.2 143.3 47.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -1.159 . . . . 0.0 109.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 128.99 34.51 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -129.11 154.48 46.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.475 -0.766 . . . . 0.0 109.919 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -129.21 155.65 45.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.299 -0.876 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.475 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 89.1 m-85 -128.73 150.03 50.45 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -93.97 120.76 34.67 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.007 -1.058 . . . . 0.0 109.29 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.23 -33.89 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.935 . . . . 0.0 109.996 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 99.7 mtp -71.68 3.12 4.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.437 -0.789 . . . . 0.0 111.063 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 t -106.95 -26.37 11.22 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.111 -0.993 . . . . 0.0 110.434 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 66' ' ' PRO . 5.6 ptp -81.94 151.75 67.69 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.998 -1.064 . . . . 0.0 109.843 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 62.3 Cg_exo -36.28 160.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.567 2.178 . . . . 0.0 112.486 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.6 m -69.36 -31.73 70.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.471 -0.768 . . . . 0.0 110.208 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.538 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 98.2 mttt -59.84 -42.99 94.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.32 -35.58 81.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.712 -1.243 . . . . 0.0 108.711 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -59.43 -40.02 85.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 0.0 108.958 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.74 -40.68 93.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.036 -1.04 . . . . 0.0 108.383 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.09 -39.92 90.39 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -68.37 -45.46 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 108.496 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.0 -46.94 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 121.681 0.753 . . . . 0.0 109.119 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.44 74.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 109.52 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -60.08 -40.71 90.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.205 -0.935 . . . . 0.0 110.232 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 N--CA 1.49 1.546 0 O-C-N 120.917 -1.114 . . . . 0.0 108.989 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.47 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.0 m . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -120.2 130.75 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.47 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 75.2 m95 -143.59 131.34 21.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.109 -0.994 . . . . 0.0 109.002 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.4 m -132.1 143.9 50.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.509 -0.745 . . . . 0.0 110.17 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 162.25 75.16 Favored Pre-proline 0 N--CA 1.491 1.588 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.19 -31.63 93.88 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.559 2.173 . . . . 0.0 112.243 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -59.81 -43.22 94.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 109.321 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -62.35 -40.27 95.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.102 -0.998 . . . . 0.0 108.407 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.3 -47.75 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.663 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 44.7 mtm -53.07 -21.33 4.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.656 -1.277 . . . . 0.0 110.09 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.52 -10.01 59.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.93 124.82 32.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.13 -0.981 . . . . 0.0 109.469 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 25.0 p-10 -60.01 -39.5 86.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -0.846 . . . . 0.0 109.596 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.29 -24.21 44.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 mtt -122.72 79.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.454 -1.027 . . . . 0.0 108.881 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -84.67 173.44 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 123.006 2.471 . . . . 0.0 112.892 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 161.96 34.56 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.6 p -71.07 -167.42 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.04 -1.271 . . . . 0.0 108.648 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' N ' ' SD ' ' A' ' 23' ' ' MET . 55.5 t -56.41 -45.65 81.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 110.274 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.526 -1.359 . . . . 0.0 109.741 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.24 -40.65 92.09 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.28 -43.84 98.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.172 -1.193 . . . . 0.0 107.991 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.591 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 24.9 m80 -62.16 -28.49 69.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.655 -0.653 . . . . 0.0 109.616 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.9 -41.89 92.63 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 60.4 mtp180 -64.4 -43.07 95.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.311 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.84 7.74 8.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.422 -0.799 . . . . 0.0 110.225 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -74.68 -51.55 14.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.309 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.98 -41.19 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.739 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.534 HE21 ' HE1' ' A' ' 44' ' ' TRP . 27.1 mt-30 -94.8 151.52 19.18 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.243 -0.911 . . . . 0.0 110.063 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.02 65.47 1.95 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.534 ' HE1' HE21 ' A' ' 42' ' ' GLN . 13.5 m0 -47.21 156.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.387 -1.066 . . . . 0.0 109.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -76.31 129.12 36.16 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -138.16 159.58 41.67 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.324 -0.86 . . . . 0.0 110.56 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.508 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.8 mp0 -128.67 158.2 39.21 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.639 0.733 . . . . 0.0 110.037 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.591 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 95.0 m-85 -120.51 143.7 48.42 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.32 110.93 22.34 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.033 -1.042 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.87 -30.04 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.112 -0.992 . . . . 0.0 109.535 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.6 ttm -69.65 -7.78 41.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 t -102.8 -14.31 16.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.479 -0.763 . . . . 0.0 108.949 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 mtt -81.08 152.06 70.84 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.398 -0.814 . . . . 0.0 109.832 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.9 168.46 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.637 1.558 . . . . 0.0 111.103 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.6 p -74.04 -31.76 63.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 0.0 111.466 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -57.61 -49.19 77.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.986 -1.071 . . . . 0.0 110.159 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 27.5 mp0 -67.42 -36.61 81.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.975 . . . . 0.0 109.333 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.44 -46.56 88.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.0 109.276 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.16 -40.11 92.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.988 . . . . 0.0 109.616 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -63.83 -39.82 95.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 0.0 110.616 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.98 -49.19 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.81 -1.181 . . . . 0.0 109.17 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.41 -38.39 77.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.159 -0.963 . . . . 0.0 109.438 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.41 69.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.519 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -59.9 -39.84 86.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.631 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.24 129.63 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.247 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CD2' ' OD1' ' A' ' 61' ' ' ASP . 61.0 m95 -140.38 123.99 17.12 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -132.31 145.83 51.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.271 -0.893 . . . . 0.0 110.176 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 160.0 83.92 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.02 -28.6 34.99 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.499 2.133 . . . . 0.0 111.906 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 19.8 pt20 -60.88 -42.0 97.09 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 78.1 mm-40 -63.66 -42.56 98.06 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.5 mt -70.07 -40.15 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.804 . . . . 0.0 108.849 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 23' ' ' MET . 13.8 tmm? -50.34 -25.41 3.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 110.24 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -4.72 47.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.07 129.65 35.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.131 -0.981 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.74 -39.99 93.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.213 -0.929 . . . . 0.0 110.23 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.32 -15.23 22.62 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.504 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 26.2 mtt -129.87 78.85 74.35 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.589 -0.948 . . . . 0.0 108.614 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -82.74 170.32 12.81 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 123.181 2.588 . . . . 0.0 113.213 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.83 166.23 23.33 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 107.6 -2.2 . . . . 0.0 107.6 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 p -69.99 -167.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.724 -1.456 . . . . 0.0 108.593 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.9 t -57.41 -50.02 78.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.089 -1.045 . . . . 0.0 108.922 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.65 77.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.913 -1.117 . . . . 0.0 108.964 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.92 45.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.79 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.903 -1.351 . . . . 0.0 108.564 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 32.9 m80 -59.97 -33.38 71.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.64 -48.71 80.61 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -60.06 -46.68 88.76 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLN . . . -76.57 1.71 16.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.964 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -75.13 -40.0 60.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.101 -0.999 . . . . 0.0 108.853 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.73 -45.5 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 39' ' ' ALA . 94.7 mm-40 -94.28 159.6 15.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.459 -0.776 . . . . 0.0 109.43 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.67 61.87 0.37 Allowed Glycine 0 N--CA 1.501 3.033 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' N ' ' CD1' ' A' ' 44' ' ' TRP . 19.6 m0 -51.8 172.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.999 -1.294 . . . . 0.0 108.891 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 120.94 22.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -129.02 154.87 46.22 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.345 -0.847 . . . . 0.0 110.047 179.716 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -131.34 153.11 49.95 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.182 -0.949 . . . . 0.0 111.521 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.522 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 52.0 m-85 -129.78 146.48 51.53 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD1' ' CD2' ' A' ' 16' ' ' TRP . 95.4 m-20 -100.25 120.63 40.2 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.84 -1.162 . . . . 0.0 111.006 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.09 -28.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 0.0 109.661 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.9 tpp -71.35 -1.7 13.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 109.837 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.3 m -101.86 -22.58 14.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 110.211 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.452 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 3.0 mpp? -79.93 149.82 70.99 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.855 -1.153 . . . . 0.0 108.99 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 71.2 Cg_exo -43.1 169.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 121.691 1.594 . . . . 0.0 111.472 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 p -69.94 -31.57 69.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.097 -1.002 . . . . 0.0 110.791 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -58.96 -48.28 82.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.826 -1.171 . . . . 0.0 110.273 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 39.5 mp0 -67.38 -32.27 73.07 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.772 -1.205 . . . . 0.0 109.084 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -59.87 -43.71 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.885 . . . . 0.0 109.207 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -40.01 87.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.77 -35.36 77.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 110.471 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.43 -50.0 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.815 -1.178 . . . . 0.0 110.3 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.77 -39.01 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.913 -1.117 . . . . 0.0 109.778 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.96 93.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.886 -1.134 . . . . 0.0 109.784 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -60.04 -40.27 88.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.853 -1.154 . . . . 0.0 108.665 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.304 -1.376 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.61 131.57 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -139.98 129.91 24.78 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.31 141.77 50.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.425 -0.797 . . . . 0.0 109.837 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.3 157.47 89.17 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 108.688 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.23 -30.84 53.06 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.23 1.954 . . . . 0.0 112.177 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -59.83 -44.74 93.89 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.61 -40.98 93.86 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.18 -48.28 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.425 -0.797 . . . . 0.0 109.364 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.3 mtp -43.71 -31.19 0.74 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 110.843 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.48 -10.19 59.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.848 -1.157 . . . . 0.0 110.868 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.87 126.31 32.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.676 -1.265 . . . . 0.0 109.461 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.04 -40.01 87.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 109.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.409 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -53.71 -30.07 42.61 Favored Glycine 0 N--CA 1.494 2.531 0 C-N-CA 120.307 -0.949 . . . . 0.0 110.733 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -119.74 79.11 23.06 Favored Pre-proline 0 N--CA 1.503 2.196 0 O-C-N 121.28 -1.129 . . . . 0.0 109.202 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.97 163.52 20.41 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.679 2.253 . . . . 0.0 112.82 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.54 160.07 17.22 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -71.87 -163.72 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.905 -1.35 . . . . 0.0 108.995 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.7 -53.58 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.041 -1.037 . . . . 0.0 109.329 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.69 94.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.902 -1.124 . . . . 0.0 109.666 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.23 -43.81 57.2 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.52 -42.49 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.143 -1.21 . . . . 0.0 108.351 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 54.7 m80 -60.12 -38.39 82.91 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 61.9 t80 -59.87 -43.91 94.47 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.559 -0.713 . . . . 0.0 109.653 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 70.4 ttt180 -66.22 -41.34 90.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.687 -1.258 . . . . 0.0 109.491 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.51 3.53 31.89 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.269 -0.894 . . . . 0.0 111.713 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.61 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 48.4 p30 -73.05 -39.83 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.428 -1.42 . . . . 0.0 108.524 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.61 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 51.8 t -69.97 -39.97 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 108.97 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.24 148.36 25.16 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.267 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 63.11 4.01 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.18 153.11 15.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -1.079 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -78.09 122.11 25.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.14 148.8 52.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.701 -0.625 . . . . 0.0 109.915 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.713 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 121.248 0.547 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 49.4 mp0 -130.6 151.45 51.05 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.472 -0.768 . . . . 0.0 109.754 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.0 m-85 -120.09 143.59 48.06 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 65' ' ' MET . 63.3 t0 -90.77 114.07 26.35 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.97 -1.081 . . . . 0.0 108.947 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.05 -31.6 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.038 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.1 mtp -72.32 3.86 4.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.943 . . . . 0.0 109.898 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 t -101.0 -20.31 15.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.167 -0.958 . . . . 0.0 109.252 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -80.48 149.99 69.49 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.138 -0.976 . . . . 0.0 109.568 179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -39.25 158.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.35 2.033 . . . . 0.0 112.455 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -60.66 -40.13 90.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.101 -0.999 . . . . 0.0 110.691 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.31 -50.08 74.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.603 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 12.6 mp0 -64.45 -36.85 85.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.919 -1.113 . . . . 0.0 108.751 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -58.97 -43.83 91.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.305 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.62 -39.99 95.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.69 -39.98 94.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 110.358 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.9 t -68.62 -43.99 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.721 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 74' ' ' ILE . 81.7 mt -60.08 -40.04 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.866 . . . . 0.0 109.561 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.152 -0.968 . . . . 0.0 108.578 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -64.95 -39.78 94.02 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -0.908 . . . . 0.0 109.106 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.098 -1.002 . . . . 0.0 110.007 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.452 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.2 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.7 mm -117.5 126.62 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.402 -0.811 . . . . 0.0 109.322 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.452 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 77.4 m95 -144.58 130.18 19.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.087 -1.008 . . . . 0.0 108.287 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -126.86 132.25 51.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.376 -0.827 . . . . 0.0 109.833 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.63 151.34 84.85 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.229 -0.919 . . . . 0.0 110.097 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.04 -31.71 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.593 2.195 . . . . 0.0 113.28 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.94 -40.79 90.18 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.991 -1.068 . . . . 0.0 108.719 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.72 -43.01 73.23 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 109.261 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ALA . 95.1 mt -69.97 -51.32 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.102 -0.999 . . . . 0.0 109.6 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.8 mtp -46.58 -31.21 2.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 110.403 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.99 -7.38 59.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.932 -1.105 . . . . 0.0 109.662 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -82.5 128.14 34.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.027 -1.046 . . . . 0.0 109.85 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -0.797 . . . . 0.0 109.503 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.18 -31.38 59.11 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -122.08 79.5 42.95 Favored Pre-proline 0 N--CA 1.501 2.125 0 O-C-N 121.276 -1.132 . . . . 0.0 109.23 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -84.31 173.7 8.57 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 123.109 2.539 . . . . 0.0 112.568 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.08 166.65 32.88 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 p -70.08 -169.62 0.29 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.142 -1.211 . . . . 0.0 108.808 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -54.61 -45.23 71.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.691 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.91 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.688 -1.257 . . . . 0.0 109.965 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.14 -40.92 84.89 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.5 t -63.83 -41.65 93.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.464 -1.021 . . . . 0.0 108.582 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 40' ' ' ASN . 32.3 m80 -62.66 -28.79 70.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.545 -0.722 . . . . 0.0 109.164 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -58.85 -49.99 75.68 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 38' ' ' ARG . 47.1 mtt-85 -62.79 -39.95 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.822 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.06 -2.55 56.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.429 -0.794 . . . . 0.0 110.498 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' HIS . 21.6 t-20 -76.58 -50.9 12.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.922 -1.111 . . . . 0.0 108.599 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -46.82 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 121.319 0.58 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -79.85 148.42 31.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.4 64.48 4.16 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 26.6 m0 -63.87 152.69 39.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.388 -1.066 . . . . 0.0 109.004 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.14 128.12 34.77 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -132.6 150.21 52.19 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.274 -0.891 . . . . 0.0 110.926 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.643 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.5 2.06 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 55.4 mp0 -133.53 155.69 49.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.482 -0.761 . . . . 0.0 110.059 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.523 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.6 m-85 -119.95 139.91 51.73 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -87.72 110.39 20.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.822 -1.174 . . . . 0.0 108.873 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.16 -15.02 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.205 -0.935 . . . . 0.0 110.696 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 tpt -73.72 -9.25 58.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.307 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -109.23 -9.13 15.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.29 -0.881 . . . . 0.0 110.934 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.609 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.6 mtm -80.01 149.96 70.97 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 120.676 -1.265 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.66 164.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.319 2.012 . . . . 0.0 111.892 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -72.61 -34.87 67.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 110.113 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.59 -46.11 89.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.855 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.7 -39.95 95.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.854 -1.154 . . . . 0.0 108.871 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -59.98 -40.21 88.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.15 -0.969 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.08 87.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.617 -1.302 . . . . 0.0 109.189 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -67.0 -37.6 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.447 -0.783 . . . . 0.0 109.85 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.14 -46.41 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 109.915 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.97 -39.96 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.219 -0.926 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.47 -40.27 82.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.995 -1.065 . . . . 0.0 109.519 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 7.0 t60 -66.76 -40.14 88.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 109.598 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.489 1.492 0 O-C-N 120.501 -1.375 . . . . 0.0 107.951 179.269 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.0 mp -133.87 125.51 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.355 -0.84 . . . . 0.0 110.219 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 42.4 m95 -147.49 129.85 15.73 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.2 m -134.91 148.19 50.01 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.18 -0.95 . . . . 0.0 110.477 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.04 164.04 64.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.65 -26.94 75.76 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.185 1.923 . . . . 0.0 111.434 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.03 -43.29 95.42 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.79 -40.01 79.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.886 . . . . 0.0 108.759 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ALA . 85.2 mt -71.84 -54.69 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.54 -0.725 . . . . 0.0 110.704 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -55.09 -19.94 8.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.683 -1.261 . . . . 0.0 109.712 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -9.96 59.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -83.71 129.32 34.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.739 -0.601 . . . . 0.0 109.653 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 26.7 p-10 -60.76 -25.2 66.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.178 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.57 -32.09 72.57 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmt -119.38 93.31 47.05 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.604 -0.939 . . . . 0.0 109.23 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.86 156.21 23.8 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.958 1.772 . . . . 0.0 111.947 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.28 160.02 16.19 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -74.82 -158.67 0.08 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.926 -1.338 . . . . 0.0 109.889 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 -55.9 20.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.26 93.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.84 -1.162 . . . . 0.0 109.685 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -43.18 54.12 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.161 -1.575 . . . . 0.0 109.161 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.01 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -1.161 . . . . 0.0 108.61 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 54.0 m80 -61.8 -38.58 88.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -54.0 -57.77 9.79 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.306 -0.871 . . . . 0.0 109.763 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.49 -39.85 85.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.846 -1.159 . . . . 0.0 109.433 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.03 35.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.328 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.67 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.893 -1.129 . . . . 0.0 109.735 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.32 -39.97 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 0.0 108.997 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -84.36 152.79 23.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.312 -0.868 . . . . 0.0 109.337 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.79 55.33 2.27 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 41.6 m0 -72.08 149.96 44.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.111 -1.229 . . . . 0.0 109.284 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -76.99 130.68 37.81 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -134.43 157.42 46.5 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.339 -0.851 . . . . 0.0 110.976 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 32.1 ptt180 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 96.5 mt-10 -131.21 154.81 48.03 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.083 -1.011 . . . . 0.0 111.017 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 23.7 m-85 -124.72 140.02 53.32 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 30.2 p-10 -96.15 131.1 42.95 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.85 -1.156 . . . . 0.0 110.282 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 16.1 t -69.16 -20.01 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.425 -0.797 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.4 tpt -70.01 -9.91 56.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.507 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.426 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 91.5 p -107.45 -11.54 15.49 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.186 -0.946 . . . . 0.0 109.982 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.599 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 6.9 mtm -78.69 139.11 58.23 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.976 -1.078 . . . . 0.0 109.656 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.56 166.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.79 1.66 . . . . 0.0 112.116 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 p -64.93 -39.18 93.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.176 -0.952 . . . . 0.0 110.973 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.07 -48.54 75.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.811 -1.181 . . . . 0.0 109.606 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 1.3 mp0 -64.86 -38.61 91.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.974 -1.079 . . . . 0.0 108.822 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 62' ' ' VAL . 23.9 ttm-85 -59.33 -42.71 92.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.426 -0.796 . . . . 0.0 109.7 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 108.904 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.85 -32.98 74.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.557 -0.715 . . . . 0.0 110.689 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.671 -1.268 . . . . 0.0 109.278 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.02 -39.74 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.33 88.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.522 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -60.76 -48.85 79.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -0.999 . . . . 0.0 109.533 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.063 -1.023 . . . . 0.0 109.064 179.678 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -129.94 130.04 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -140.04 135.39 32.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.7 m -129.97 137.63 50.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.289 -0.882 . . . . 0.0 110.106 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -72.36 154.46 91.89 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.44 -34.1 60.0 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.932 1.755 . . . . 0.0 111.926 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.08 -44.99 94.38 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.042 -1.036 . . . . 0.0 108.345 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.06 -40.37 89.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.208 -0.932 . . . . 0.0 108.552 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.12 -47.2 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 108.81 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 89.5 mtp -48.47 -20.33 0.41 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.023 -1.048 . . . . 0.0 109.773 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.77 -10.09 59.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 109.385 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.83 124.17 32.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.386 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 39.2 p-10 -61.01 -38.25 85.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 0.0 109.878 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.512 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -55.8 -21.3 29.22 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mtt -123.82 80.06 56.47 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.291 -1.123 . . . . 0.0 109.33 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.58 167.26 17.14 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.952 2.435 . . . . 0.0 113.134 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.09 27.76 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.9 p -71.14 -168.54 0.3 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.304 -1.115 . . . . 0.0 108.737 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.07 -46.79 84.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 109.894 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.7 87.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.842 -1.161 . . . . 0.0 109.678 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.68 90.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.63 -40.3 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.247 -1.149 . . . . 0.0 108.549 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.552 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 23.9 m80 -62.18 -39.23 91.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.54 -0.725 . . . . 0.0 109.849 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.78 -49.86 75.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.312 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 38' ' ' ARG . 32.2 ttt-85 -60.76 -49.85 75.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.07 -1.019 . . . . 0.0 109.362 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.97 11.04 2.9 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.387 -0.821 . . . . 0.0 110.291 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -73.24 -40.17 64.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.994 . . . . 0.0 109.445 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.34 -46.59 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.548 -0.72 . . . . 0.0 109.66 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -85.92 156.41 20.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.431 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 68.77 0.72 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 29.0 m0 -58.08 158.29 7.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.387 -1.067 . . . . 0.0 109.82 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 m -75.87 120.01 20.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -133.87 148.65 51.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.69 -0.631 . . . . 0.0 110.172 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.348 -0.845 . . . . 0.0 108.917 178.103 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -134.13 157.67 45.58 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.552 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.3 m-85 -127.29 144.51 51.03 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -90.72 117.1 29.09 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.905 -1.122 . . . . 0.0 108.758 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' A' ' 64' ' ' SER . 94.2 t -65.18 -28.09 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.01 -1.056 . . . . 0.0 110.259 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.3 mmm -71.32 7.24 1.39 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.076 -1.015 . . . . 0.0 110.265 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 62' ' ' VAL . 39.5 m -114.09 -16.66 12.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.373 -0.83 . . . . 0.0 109.912 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.8 mtm -80.0 146.05 62.63 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.075 -1.015 . . . . 0.0 110.504 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -42.29 161.57 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.18 1.92 . . . . 0.0 112.166 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.423 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 91.2 m -61.07 -39.95 91.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.137 -0.977 . . . . 0.0 110.356 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.86 -47.73 83.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.997 -1.065 . . . . 0.0 110.051 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.5 -41.04 89.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 85.9 mtm180 -60.11 -40.11 88.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.209 -0.932 . . . . 0.0 109.834 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.975 -1.078 . . . . 0.0 109.729 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -34.74 78.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.94 -49.98 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.99 -1.069 . . . . 0.0 109.815 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.3 mp -61.55 -42.22 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.909 -1.119 . . . . 0.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 109.509 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.94 -48.66 80.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.102 -0.999 . . . . 0.0 108.562 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.249 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 89.5 mt -131.83 130.25 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.463 -0.773 . . . . 0.0 108.915 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 49.2 m95 -141.69 133.95 27.9 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.911 . . . . 0.0 108.942 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.7 m -134.66 148.03 50.27 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.31 -0.869 . . . . 0.0 110.493 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.84 170.01 18.36 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.35 -29.7 16.55 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.903 1.735 . . . . 0.0 111.461 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.07 -46.6 89.02 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.68 -41.06 94.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.437 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 92.7 mt -69.77 -41.97 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.3 mmm -50.03 -20.38 0.94 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.144 -0.972 . . . . 0.0 109.598 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.05 -9.97 59.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.011 -1.056 . . . . 0.0 109.392 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.55 119.09 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.137 -0.977 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' MET . 48.1 t0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.145 -0.972 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.42 -12.88 0.64 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.437 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 3.7 mtt -130.01 82.38 66.48 Favored Pre-proline 0 N--CA 1.503 2.183 0 O-C-N 121.259 -1.142 . . . . 0.0 109.512 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.71 168.07 19.89 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.659 2.239 . . . . 0.0 113.098 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.01 159.42 24.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 p -70.96 -166.97 0.17 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.924 -1.339 . . . . 0.0 108.617 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.7 -49.23 81.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.922 -1.111 . . . . 0.0 108.458 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.85 85.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.952 -1.093 . . . . 0.0 109.391 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.73 -39.91 87.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -63.45 -41.49 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -1.169 . . . . 0.0 108.262 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 33.7 m80 -60.15 -36.84 78.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.54 -0.725 . . . . 0.0 109.631 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.73 -48.27 80.08 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.338 -0.851 . . . . 0.0 109.135 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.74 -45.48 89.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.905 -1.122 . . . . 0.0 108.57 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.65 0.42 12.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.386 -0.821 . . . . 0.0 109.59 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.11 -47.46 28.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.164 -0.96 . . . . 0.0 108.774 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -41.28 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.666 -0.646 . . . . 0.0 109.71 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -79.99 159.37 26.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 0.0 109.741 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.06 62.43 1.05 Allowed Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CZ2' ' SD ' ' A' ' 65' ' ' MET . 14.3 m0 -67.65 147.61 52.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -1.119 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -76.77 122.99 25.53 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -130.26 152.02 50.13 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.502 -0.749 . . . . 0.0 109.92 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.58 ' CB ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.853 . . . . 0.0 109.35 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -135.23 146.02 48.22 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 120.788 -1.195 . . . . 0.0 111.417 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 84.2 m-85 -127.7 139.34 52.76 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -92.49 109.89 21.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.529 -1.357 . . . . 0.0 108.912 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.47 -23.89 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.231 -0.918 . . . . 0.0 110.516 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.1 tpp -70.92 -10.93 60.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 110.629 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.7 t -99.41 -12.85 19.88 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.743 -1.223 . . . . 0.0 109.383 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.539 ' SD ' ' CZ2' ' A' ' 44' ' ' TRP . 20.8 ttp -81.58 130.65 60.73 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.222 -0.923 . . . . 0.0 108.654 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 65' ' ' MET . 28.6 Cg_exo -35.95 157.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.12 1.88 . . . . 0.0 112.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.5 m -62.44 -39.99 95.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 111.912 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -51.19 -59.59 4.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.683 -1.26 . . . . 0.0 110.884 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.3 mp0 -62.92 -37.65 87.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.645 -1.284 . . . . 0.0 110.154 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -59.2 -40.62 86.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.043 -1.036 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -60.02 -40.79 90.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -64.35 -39.4 93.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.976 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.03 -42.76 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.973 -1.08 . . . . 0.0 109.137 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.19 -39.9 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.09 -1.006 . . . . 0.0 109.099 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.0 65.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 108.819 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.27 -36.37 83.88 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.847 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 84.1 mt -133.5 134.09 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 60.7 m95 -146.11 131.65 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.216 -0.927 . . . . 0.0 108.845 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -132.73 148.39 52.33 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.406 -0.809 . . . . 0.0 110.329 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -72.48 167.45 32.78 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.464 ' N ' ' HG ' ' A' ' 18' ' ' SER . 53.4 Cg_endo -69.09 -24.46 32.7 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.836 1.69 . . . . 0.0 111.411 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.572 ' H ' ' HG ' ' A' ' 18' ' ' SER . 77.7 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.0 -41.7 77.46 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.07 -48.86 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.375 -0.828 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -51.59 -27.5 11.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.169 -0.957 . . . . 0.0 110.651 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.3 -7.03 58.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.685 -1.259 . . . . 0.0 109.234 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.9 124.77 30.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.008 -1.058 . . . . 0.0 109.587 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -62.78 -26.63 68.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.446 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.64 52.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmt -131.54 80.02 67.87 Favored Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.561 -0.964 . . . . 0.0 108.623 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.28 156.1 37.3 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.098 1.866 . . . . 0.0 112.532 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.79 159.18 11.23 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.7 p -70.9 -164.13 0.09 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.906 -1.349 . . . . 0.0 109.148 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.85 -54.91 23.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 108.448 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.93 93.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.51 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.48 -42.37 43.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.61 -42.28 95.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 51.9 m80 -61.0 -36.85 80.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.708 -0.62 . . . . 0.0 109.618 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -59.75 -50.13 75.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 110.33 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.39 -40.07 93.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.973 -1.079 . . . . 0.0 108.811 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.46 -0.93 19.06 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.408 -0.807 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.01 -52.18 10.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.248 -0.908 . . . . 0.0 109.463 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.91 -40.03 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.218 -0.926 . . . . 0.0 109.114 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -76.84 154.77 33.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.187 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.56 63.6 1.61 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 15.1 m0 -69.44 150.9 46.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.157 -1.202 . . . . 0.0 109.211 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 126.01 30.18 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -134.43 150.59 50.86 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.411 -0.806 . . . . 0.0 110.535 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.494 -0.753 . . . . 0.0 109.223 178.618 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -132.29 153.67 50.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.459 -0.776 . . . . 0.0 109.443 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 82.6 m-85 -124.12 140.16 53.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 109.34 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.74 111.51 23.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.235 -0.915 . . . . 0.0 109.309 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.51 -19.53 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.405 ' HA ' HH12 ' A' ' 70' ' ' ARG . 96.4 mmm -70.48 -3.58 18.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 109.323 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 p -109.96 -18.64 13.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.434 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 32.1 mtt -79.97 150.1 71.33 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.221 -0.925 . . . . 0.0 109.74 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.72 158.52 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.957 1.771 . . . . 0.0 111.823 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -63.59 -40.12 96.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 109.772 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.83 -42.39 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.931 . . . . 0.0 109.052 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.064 -1.022 . . . . 0.0 108.771 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 70' ' ' ARG . 24.3 ttm-85 -59.92 -44.74 94.12 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.453 0.644 . . . . 0.0 109.426 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.17 -39.98 88.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.689 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -63.06 -39.38 94.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 0.0 109.434 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.36 -45.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 108.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.13 -39.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.423 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.07 68.12 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.937 -1.102 . . . . 0.0 108.127 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -62.97 -41.25 99.49 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--N 1.307 -1.261 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 178.083 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.427 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.8 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 19.6 tt -131.14 130.35 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 CA-C-O 121.675 0.75 . . . . 0.0 109.888 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 34.4 m95 -144.99 129.53 17.98 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 m -133.43 143.19 48.71 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.161 -0.962 . . . . 0.0 111.247 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 m -77.92 152.48 79.91 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.02 -33.56 2.28 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.477 2.118 . . . . 0.0 113.4 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.84 -45.86 91.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.804 -1.185 . . . . 0.0 108.123 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.87 -42.46 97.51 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.468 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 22' ' ' ILE . 97.4 mt -68.33 -48.52 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.975 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -51.1 -20.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.87 -1.144 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.26 -10.08 59.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.047 -1.033 . . . . 0.0 109.265 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.12 121.52 28.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -0.926 . . . . 0.0 108.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.21 -39.88 88.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 110.149 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.74 -16.46 23.65 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mtt -125.82 76.81 70.67 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.475 -1.015 . . . . 0.0 108.401 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -84.26 175.66 7.17 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.264 2.643 . . . . 0.0 113.432 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 165.67 38.4 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -71.52 -170.8 0.56 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.086 -1.243 . . . . 0.0 108.386 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.35 -41.11 60.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.91 -1.119 . . . . 0.0 109.521 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.74 86.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.758 -1.214 . . . . 0.0 109.273 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.16 97.72 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.34 -43.31 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.541 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 26.0 m80 -60.81 -33.17 72.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.832 -0.542 . . . . 0.0 109.806 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.136 -0.978 . . . . 0.0 109.482 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -65.46 -40.69 93.49 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.669 -1.212 . . . . 0.0 108.006 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -0.93 19.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.674 -0.641 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -75.24 -52.31 11.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 108.448 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.03 -41.16 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -84.8 152.88 23.33 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.329 -0.857 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.23 70.49 0.29 Allowed Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.523 ' N ' ' CD1' ' A' ' 44' ' ' TRP . 4.3 m0 -67.5 170.79 6.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.954 -1.321 . . . . 0.0 108.08 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.421 ' H ' ' CB ' ' A' ' 64' ' ' SER . 1.3 m -73.61 131.7 41.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -135.85 160.04 39.8 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.152 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.18 160.73 39.11 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.854 -1.154 . . . . 0.0 112.508 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.541 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 53.0 m-85 -128.35 143.13 50.97 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -99.76 124.17 44.76 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.856 -1.152 . . . . 0.0 110.036 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.42 ' C ' ' H ' ' A' ' 64' ' ' SER . 79.9 t -68.27 -30.0 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.404 -0.81 . . . . 0.0 111.822 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.1 mmt -70.58 14.27 0.14 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.896 -1.127 . . . . 0.0 111.583 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.421 ' CB ' ' H ' ' A' ' 45' ' ' THR . 18.4 m -117.27 -24.77 7.31 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.245 -0.91 . . . . 0.0 110.029 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 66' ' ' PRO . 9.8 ptp -80.54 151.8 72.08 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.118 -0.989 . . . . 0.0 109.659 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' MET . 11.8 Cg_exo -40.62 167.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.032 1.821 . . . . 0.0 111.788 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -70.0 -29.41 66.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 110.15 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.8 -50.07 73.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.087 -1.008 . . . . 0.0 110.139 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 49.7 mp0 -69.09 -31.83 70.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.913 -1.117 . . . . 0.0 109.477 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.89 -41.45 91.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.122 -0.986 . . . . 0.0 109.243 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -40.03 94.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 109.481 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -59.89 -39.83 86.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.321 -0.862 . . . . 0.0 109.348 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.96 -46.61 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.795 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.14 -40.12 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.13 -0.982 . . . . 0.0 110.381 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.34 93.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.019 -1.051 . . . . 0.0 110.4 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.75 -44.66 95.63 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.83 -1.169 . . . . 0.0 108.415 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.21 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.436 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.9 mp -133.94 131.24 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.344 -0.848 . . . . 0.0 109.157 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 46.6 m95 -146.04 130.92 18.13 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -139.8 151.77 46.01 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.096 -1.003 . . . . 0.0 111.199 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.64 161.25 76.97 Favored Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.57 -25.4 78.69 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.398 2.065 . . . . 0.0 112.341 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.99 -43.95 94.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.574 -1.329 . . . . 0.0 108.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.47 -42.91 97.21 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.8 -48.81 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.425 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 90.4 mtp -47.76 -22.91 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.808 -1.183 . . . . 0.0 110.849 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.525 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -78.76 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.797 -1.189 . . . . 0.0 110.223 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.19 128.73 34.78 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.093 -1.004 . . . . 0.0 109.435 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.75 -39.89 93.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.2 -11.72 10.03 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.6 mtt -129.34 77.2 77.86 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -1.161 . . . . 0.0 108.483 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -84.89 170.33 9.97 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 123.148 2.565 . . . . 0.0 113.792 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.39 163.98 31.91 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -69.83 -167.56 0.15 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.024 -1.28 . . . . 0.0 108.827 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.19 -43.79 72.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.649 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.94 82.04 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.849 -1.157 . . . . 0.0 109.21 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.11 98.02 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.22 -41.6 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.956 -1.32 . . . . 0.0 107.987 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 31.5 m80 -61.71 -31.4 71.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.23 -40.97 83.06 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' O ' ' OE1' ' A' ' 42' ' ' GLN . 13.0 mmm180 -61.85 -44.19 97.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.146 -0.971 . . . . 0.0 109.412 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.8 3.42 25.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.17 -0.956 . . . . 0.0 110.128 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -78.21 -50.19 12.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.023 -1.048 . . . . 0.0 109.448 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.45 -49.0 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.558 -0.714 . . . . 0.0 109.717 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 38' ' ' ARG . 28.1 mp0 -83.19 151.55 25.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.247 -0.908 . . . . 0.0 109.911 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.51 65.37 2.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -59.93 159.69 8.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.303 -1.116 . . . . 0.0 108.846 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.3 m -77.35 118.06 19.45 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -129.64 150.37 50.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.582 -177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.278 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -130.99 155.95 45.94 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.107 -0.996 . . . . 0.0 111.222 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.533 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.8 m-85 -127.54 142.39 51.39 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -99.87 115.79 30.44 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.089 -1.007 . . . . 0.0 109.308 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -66.4 -13.13 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.585 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.8 mtp -73.74 -8.26 55.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.863 -1.148 . . . . 0.0 110.655 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -106.34 -18.49 13.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.166 -0.959 . . . . 0.0 109.421 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 mtp -80.28 146.88 63.26 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.407 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.25 170.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.508 1.472 . . . . 0.0 111.467 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.9 p -71.62 -34.15 69.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.442 -0.786 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.39 -49.71 76.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.991 -1.068 . . . . 0.0 110.624 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -65.73 -40.17 91.89 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.681 -1.262 . . . . 0.0 110.271 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.84 -46.35 89.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.962 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.12 -36.34 77.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.64 -39.92 94.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.12 -0.987 . . . . 0.0 111.023 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -68.75 -51.79 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.836 -1.165 . . . . 0.0 110.313 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.437 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.6 mp -59.97 -38.49 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.042 . . . . 0.0 108.635 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.64 92.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.872 . . . . 0.0 109.936 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 5.4 t60 -65.21 -40.02 93.56 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.976 -1.078 . . . . 0.0 109.183 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.298 -1.667 0 O-C-N 120.667 -1.27 . . . . 0.0 108.472 179.522 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.332 0.587 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.6 mt -130.07 130.16 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -140.28 137.17 33.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.388 -0.82 . . . . 0.0 108.876 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.7 m -136.23 148.89 48.29 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.05 164.0 64.22 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 108.737 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.92 -34.89 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.98 -44.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.004 -1.06 . . . . 0.0 108.855 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -42.1 99.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.0 109.209 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -70.56 -51.12 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 0.0 109.67 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 23' ' ' MET . 6.5 tmm? -49.91 -20.12 0.83 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.14 -5.48 56.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.858 -1.151 . . . . 0.0 108.538 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.65 127.99 33.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.529 -0.732 . . . . 0.0 109.228 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.2 p-10 -60.12 -38.93 84.51 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.328 -0.857 . . . . 0.0 110.177 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -57.33 -14.84 13.63 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.487 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 22.6 mtt -129.25 82.08 68.97 Favored Pre-proline 0 N--CA 1.499 1.989 0 O-C-N 121.372 -1.075 . . . . 0.0 108.897 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.17 166.17 14.51 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.867 2.378 . . . . 0.0 113.165 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.19 162.85 27.52 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 -168.47 0.18 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.792 -1.417 . . . . 0.0 108.256 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.57 -44.36 80.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.09 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.64 85.9 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.978 -1.076 . . . . 0.0 109.562 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.89 91.25 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.0 t -62.25 -41.5 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -1.187 . . . . 0.0 108.169 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.1 m80 -62.6 -39.67 94.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.776 -0.578 . . . . 0.0 110.235 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -55.57 -45.63 77.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.842 -1.161 . . . . 0.0 108.35 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' C ' ' H ' ' A' ' 40' ' ' ASN . 41.6 ttt-85 -62.03 -48.33 80.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.0 109.021 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 3.98 1.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.438 -0.789 . . . . 0.0 110.208 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 38' ' ' ARG . 14.9 t-20 -71.73 -47.49 53.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.21 -43.95 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.602 -0.686 . . . . 0.0 109.635 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -84.88 151.95 23.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.316 -0.865 . . . . 0.0 109.979 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.2 65.85 0.36 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -58.82 150.38 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.034 -1.274 . . . . 0.0 108.712 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -78.63 127.98 32.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 108.244 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -126.24 152.07 46.59 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.47 0.653 . . . . 0.0 109.975 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -130.69 159.56 36.87 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 37.8 m-85 -125.75 140.51 52.63 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -79.09 123.11 27.03 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.863 -1.148 . . . . 0.0 109.274 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.12 -36.29 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.72 5.39 2.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 0.0 110.448 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -104.98 -21.94 13.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.261 -0.899 . . . . 0.0 110.107 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptp -80.12 152.21 73.66 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.002 -1.061 . . . . 0.0 108.982 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.39 169.04 0.23 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.123 1.882 . . . . 0.0 111.92 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -68.39 -36.83 79.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.321 -0.862 . . . . 0.0 111.437 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.65 -49.51 76.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.727 -1.233 . . . . 0.0 109.631 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.83 -37.68 84.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.891 -1.131 . . . . 0.0 109.356 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.7 -42.82 89.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.598 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.92 87.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.838 -1.164 . . . . 0.0 108.951 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -64.61 -39.6 94.01 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 109.224 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.45 -48.99 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.199 -0.938 . . . . 0.0 109.151 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.97 81.44 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.054 -1.029 . . . . 0.0 109.159 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -60.29 -50.03 75.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.011 -1.055 . . . . 0.0 109.201 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.058 -1.026 . . . . 0.0 108.986 179.04 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 15' ' ' ILE . 50.8 mm -121.61 132.08 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -142.78 130.37 21.33 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.1 m -136.29 148.25 47.88 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.141 -0.974 . . . . 0.0 110.932 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 158.94 82.94 Favored Pre-proline 0 N--CA 1.497 1.903 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.61 -24.89 64.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.329 2.019 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.21 -44.63 94.99 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -62.33 -42.16 99.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 22' ' ' ILE . 94.1 mt -66.16 -45.9 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.4 mmm -51.2 -20.43 1.56 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.505 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -79.44 -10.29 59.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.827 -1.17 . . . . 0.0 109.622 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.02 122.59 31.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.259 -0.901 . . . . 0.0 109.113 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -60.19 -39.61 87.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -0.929 . . . . 0.0 109.448 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.17 -21.25 3.95 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -121.01 79.16 33.21 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.098 -1.236 . . . . 0.0 109.281 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.92 167.2 22.42 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.879 2.386 . . . . 0.0 113.095 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.52 160.23 23.08 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 p -70.75 -165.39 0.11 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.759 -1.436 . . . . 0.0 108.505 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.48 -48.46 85.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.007 -1.058 . . . . 0.0 109.429 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.34 90.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.808 -1.182 . . . . 0.0 110.335 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.98 91.06 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.36 -39.54 81.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.566 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 27.6 m80 -69.9 -24.7 63.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.694 -0.629 . . . . 0.0 109.867 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -59.82 -52.55 64.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.974 -1.079 . . . . 0.0 109.942 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -69.84 -34.93 74.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.145 -0.972 . . . . 0.0 110.432 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.62 -8.38 56.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 0.0 110.189 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -72.89 -44.19 61.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.147 -0.971 . . . . 0.0 109.659 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.23 -44.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -82.22 151.79 26.69 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.916 . . . . 0.0 109.6 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.64 61.86 3.45 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -58.21 156.25 10.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.162 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.2 m -78.33 114.3 17.1 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -132.36 157.19 45.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.303 -0.873 . . . . 0.0 109.883 -177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 108.816 178.526 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.5 2.059 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -129.36 150.62 50.65 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 121.956 0.884 . . . . 0.0 111.455 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 66.2 m-85 -124.2 137.68 54.5 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' SD ' ' A' ' 65' ' ' MET . 59.8 t0 -92.7 110.11 21.54 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.886 -1.133 . . . . 0.0 109.092 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.524 ' C ' ' H ' ' A' ' 64' ' ' SER . 85.1 t -64.38 -33.97 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.181 -0.95 . . . . 0.0 110.641 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.538 ' SD ' ' NH2' ' A' ' 70' ' ' ARG . 80.0 mmm -69.58 14.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.188 . . . . 0.0 110.218 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 62' ' ' VAL . 15.2 t -113.08 -24.55 9.4 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.446 -0.783 . . . . 0.0 109.765 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 65' ' ' MET . 2.2 mpt? -79.91 151.59 73.63 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.014 -1.054 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' MET . 91.2 Cg_exo -40.5 166.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.729 1.619 . . . . 0.0 111.65 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -68.97 -31.8 70.92 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 110.334 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.61 -50.79 72.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.528 -1.358 . . . . 0.0 110.722 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -68.17 -39.86 82.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.601 -1.312 . . . . 0.0 109.99 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.538 ' NH2' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 109.681 -179.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.72 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.76 -37.03 85.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.061 -1.024 . . . . 0.0 110.301 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.46 -48.49 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.922 -1.111 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.49 -40.82 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.987 -1.071 . . . . 0.0 109.235 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.74 81.63 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.129 -0.982 . . . . 0.0 109.512 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 24.3 t60 -60.51 -38.53 84.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.104 -0.997 . . . . 0.0 108.628 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.045 . . . . 0.0 108.967 179.498 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mm -113.92 129.76 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.386 -0.821 . . . . 0.0 109.033 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -143.42 130.34 20.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.261 -0.899 . . . . 0.0 108.639 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.1 m -130.02 139.8 50.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.414 -0.804 . . . . 0.0 109.662 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.68 176.66 3.18 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 109.003 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -65.81 -30.03 49.94 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.046 1.831 . . . . 0.0 112.65 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.413 ' CD ' ' N ' ' A' ' 20' ' ' GLN . 27.7 mp0 -60.05 -41.54 92.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.989 -1.069 . . . . 0.0 109.559 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -67.63 -40.07 84.65 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.657 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.56 -51.88 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.422 -0.798 . . . . 0.0 110.254 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 70.4 mtm -53.33 -23.3 8.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.563 -1.335 . . . . 0.0 110.226 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.85 59.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.868 -1.145 . . . . 0.0 109.214 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.28 126.98 33.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.215 -0.928 . . . . 0.0 110.05 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -60.91 -36.41 79.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 109.579 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -57.46 -27.02 57.81 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.4 mtt -128.43 81.5 70.46 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.347 -1.09 . . . . 0.0 109.118 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.15 173.92 9.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.96 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.5 162.7 32.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.433 ' C ' ' SD ' ' A' ' 23' ' ' MET . 91.9 p -70.61 -167.38 0.18 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.144 -1.209 . . . . 0.0 108.976 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.61 ' N ' ' SD ' ' A' ' 23' ' ' MET . 66.4 t -56.46 -47.34 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.321 -0.862 . . . . 0.0 109.721 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.62 86.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.701 -1.249 . . . . 0.0 109.46 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.29 93.71 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.54 -40.06 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.287 -1.125 . . . . 0.0 108.211 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 41.7 m80 -64.6 -31.05 72.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.694 -0.629 . . . . 0.0 109.883 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.87 -47.53 85.36 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.0 . . . . 0.0 109.043 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 43.1 ttm180 -63.0 -43.06 99.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.922 -1.111 . . . . 0.0 109.152 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.75 2.65 7.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.845 . . . . 0.0 110.073 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.34 -43.71 55.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.173 -0.954 . . . . 0.0 109.488 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.0 -40.87 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.665 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.0 159.44 14.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.094 -1.004 . . . . 0.0 110.207 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.23 70.6 0.89 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 15.9 m0 -55.8 152.58 9.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.512 -0.993 . . . . 0.0 109.998 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 m -77.02 126.21 30.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -133.77 151.36 51.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.424 -0.797 . . . . 0.0 110.39 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.588 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.33 158.2 38.87 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.9 m-85 -120.78 141.66 50.3 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.66 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -95.76 112.92 24.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.998 -1.064 . . . . 0.0 109.234 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.89 -20.51 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.0 110.037 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.6 mmm -72.03 -1.59 15.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.121 -0.987 . . . . 0.0 109.914 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 m -111.92 -19.17 12.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.395 -0.816 . . . . 0.0 109.676 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 47.9 mtm -80.28 151.72 72.71 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.1 Cg_exo -44.84 172.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.737 1.625 . . . . 0.0 111.682 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 t -72.41 -30.02 64.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.282 -0.886 . . . . 0.0 110.593 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.89 -48.22 82.58 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.772 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 38.8 mp0 -67.08 -35.17 79.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.855 -1.153 . . . . 0.0 109.585 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -59.8 -49.94 75.77 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 110.526 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.8 -33.79 74.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.7 -1.25 . . . . 0.0 110.533 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.38 -35.69 79.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.905 -1.122 . . . . 0.0 109.647 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.46 -48.9 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.024 -1.047 . . . . 0.0 109.566 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.05 -40.44 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.839 -1.163 . . . . 0.0 108.795 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.96 88.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.167 -0.958 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -63.35 -40.04 96.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.002 -1.061 . . . . 0.0 108.711 179.569 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.504 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.8 m . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.221 0.534 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 15' ' ' ILE . 96.4 mt -133.56 128.58 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.569 -0.707 . . . . 0.0 109.409 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.504 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 25.7 m95 -145.31 132.56 20.54 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 m -136.47 151.07 49.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.135 -0.978 . . . . 0.0 110.333 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 10.7 m -73.43 153.57 89.96 Favored Pre-proline 0 N--CA 1.491 1.585 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.13 -34.33 68.11 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.916 1.744 . . . . 0.0 112.238 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -59.97 -39.12 84.55 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.918 -1.114 . . . . 0.0 108.266 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -59.83 -39.44 85.1 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' ALA . 88.9 mt -67.3 -41.77 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 mmt -47.79 -27.43 2.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.678 -1.264 . . . . 0.0 109.814 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.62 -11.82 59.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.797 -1.19 . . . . 0.0 109.319 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -85.82 114.54 22.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.132 -0.98 . . . . 0.0 109.303 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 30.3 p-10 -60.33 -34.27 73.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.49 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -50.01 -26.98 9.34 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mtt -118.94 96.7 50.36 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.309 -1.112 . . . . 0.0 109.193 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -84.59 160.74 12.55 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.644 2.23 . . . . 0.0 113.236 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 159.02 22.63 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -70.84 -168.43 0.27 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.084 -1.245 . . . . 0.0 108.922 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -56.95 -45.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.175 -0.953 . . . . 0.0 109.34 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.88 88.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.024 -1.048 . . . . 0.0 110.288 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.98 93.06 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.5 -41.43 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.311 . . . . 0.0 107.887 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.539 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.5 m80 -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.698 . . . . 0.0 109.557 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -59.92 -50.08 75.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.207 -0.933 . . . . 0.0 109.754 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.602 HH22 HE22 ' A' ' 42' ' ' GLN . 45.3 ttt-85 -66.91 -46.38 75.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 109.422 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.11 71.04 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 111.507 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -64.76 -39.98 94.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.574 -1.329 . . . . 0.0 109.863 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.66 -41.25 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.094 -1.004 . . . . 0.0 109.084 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.602 HE22 HH22 ' A' ' 38' ' ' ARG . 96.0 mt-30 -82.61 157.78 23.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.53 57.17 4.72 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 17.7 m0 -63.67 140.58 58.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.073 -1.251 . . . . 0.0 108.891 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -75.6 123.77 26.08 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 mtpm? -127.98 159.54 34.67 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.582 0.706 . . . . 0.0 110.42 -178.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.31 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 18' ' ' SER . 3.3 tp10 -126.23 145.29 50.45 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.31 -0.869 . . . . 0.0 109.491 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.2 m-85 -117.38 141.04 48.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.533 -0.729 . . . . 0.0 109.116 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 35.5 p-10 -96.06 124.22 39.98 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 0.0 108.964 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.13 -16.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.096 -1.002 . . . . 0.0 110.964 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.15 -9.98 59.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 110.463 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.401 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 90.4 p -104.98 -11.97 16.4 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.946 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.64 146.85 77.39 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.906 -1.121 . . . . 0.0 108.887 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 155.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.029 1.819 . . . . 0.0 112.114 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 110.124 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.89 -47.58 84.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.823 -1.173 . . . . 0.0 109.622 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 92.0 mt-10 -66.32 -39.38 89.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.94 . . . . 0.0 109.083 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -59.03 -40.1 84.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.474 -0.766 . . . . 0.0 109.09 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -61.06 -39.93 91.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.328 -0.857 . . . . 0.0 109.68 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -63.71 -39.82 95.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.323 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.65 -43.85 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.044 -1.035 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.03 -39.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.933 -1.104 . . . . 0.0 109.168 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.8 86.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.37 -0.831 . . . . 0.0 109.382 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -66.17 -37.44 85.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.312 -0.867 . . . . 0.0 110.586 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.494 1.761 0 O-C-N 120.539 -1.35 . . . . 0.0 109.813 -179.414 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.504 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 9.9 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.212 0.53 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.5 mt -131.47 130.09 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.504 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 21.7 m95 -140.06 136.46 33.66 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 m -139.77 147.64 41.1 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.831 -1.168 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 168.42 23.61 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.183 -0.948 . . . . 0.0 110.274 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.23 -28.14 14.24 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.842 2.361 . . . . 0.0 113.51 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.96 -43.39 95.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.838 -1.164 . . . . 0.0 109.181 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.39 -41.41 76.49 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.002 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -69.8 -53.36 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.0 110.125 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.6 mtp -51.28 -24.46 4.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.892 -1.13 . . . . 0.0 109.916 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.29 -9.4 58.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.082 -1.011 . . . . 0.0 109.781 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.81 130.07 35.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.009 -1.057 . . . . 0.0 110.337 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.881 . . . . 0.0 108.905 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.37 -27.18 52.9 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 28' ' ' MET . 1.8 mpt? -127.88 79.58 73.46 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.239 -1.154 . . . . 0.0 109.5 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.44 175.41 5.43 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 123.255 2.637 . . . . 0.0 112.587 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.64 164.92 37.11 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.566 -1.814 . . . . 0.0 108.566 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.5 p -69.0 -172.74 0.42 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.735 -1.45 . . . . 0.0 109.54 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.64 -50.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.033 -1.042 . . . . 0.0 109.959 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' TYR . . . -58.54 -40.09 82.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 109.346 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.47 -46.13 94.94 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.22 -48.99 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 1.2 t60 -65.68 -28.45 69.09 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.703 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ALA . 59.9 t80 -59.85 -51.24 70.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 110.545 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 14.4 ptm180 -67.28 -39.33 86.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.9 -1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -7.95 43.98 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 109.218 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -76.37 -44.44 36.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.154 -0.966 . . . . 0.0 108.869 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.42 -39.82 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -79.73 155.57 27.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.24 -0.912 . . . . 0.0 110.313 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.23 57.7 3.55 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -71.46 148.42 46.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -1.203 . . . . 0.0 109.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.9 m -79.5 128.1 32.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -130.87 154.56 47.95 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.418 0.628 . . . . 0.0 110.214 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' NH1' ' CB ' ' A' ' 47' ' ' ARG . 1.3 ptp180 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -138.15 156.71 47.48 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.765 -1.209 . . . . 0.0 110.771 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 8.9 m-85 -130.46 136.9 49.47 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 19.1 p-10 -87.47 117.48 26.29 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.649 -1.282 . . . . 0.0 110.871 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.99 -12.09 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.783 -1.198 . . . . 0.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 55.1 ttm -70.02 -17.54 63.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 109.659 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.6 p -102.01 -8.69 21.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.225 -0.922 . . . . 0.0 109.548 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.8 mtt -77.71 149.68 77.96 Favored Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.917 -1.114 . . . . 0.0 108.198 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.66 164.37 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.344 1.362 . . . . 0.0 111.036 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.7 m -59.85 -39.92 86.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.274 -0.891 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.501 ' CB ' ' HZ1' ' A' ' 68' ' ' LYS . 7.5 ttpm? -59.74 -49.18 78.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.21 -0.932 . . . . 0.0 111.71 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 3.7 mp0 -65.44 -50.29 65.96 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.821 -1.174 . . . . 0.0 111.506 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -60.14 -40.12 88.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.618 -1.302 . . . . 0.0 110.925 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.27 -39.88 88.4 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.404 -1.435 . . . . 0.0 108.636 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -69.84 -39.77 76.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.59 -49.33 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.784 -1.197 . . . . 0.0 109.5 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.56 -40.13 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.039 -1.038 . . . . 0.0 108.691 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.09 87.8 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.109 -0.994 . . . . 0.0 110.095 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -62.29 -40.68 97.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 108.914 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.114 -0.992 . . . . 0.0 108.546 178.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.3 0.571 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.9 mt -120.55 133.22 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.688 -0.633 . . . . 0.0 109.641 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -139.73 132.43 28.97 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.4 m -130.04 141.12 50.77 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.994 -1.066 . . . . 0.0 110.885 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.06 163.78 65.94 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.21 -42.02 67.5 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.397 2.065 . . . . 0.0 112.366 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -60.04 -42.55 94.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.828 -1.17 . . . . 0.0 108.554 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.44 -40.65 97.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.71 -47.18 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.799 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.3 mmm -43.42 -30.03 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.062 -1.024 . . . . 0.0 111.292 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.13 -9.97 59.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.71 -1.244 . . . . 0.0 109.607 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.97 121.02 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.01 -39.37 85.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.73 -24.59 1.89 Allowed Glycine 0 N--CA 1.492 2.4 0 O-C-N 121.32 -0.862 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 mmt -119.82 87.38 37.82 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.196 -1.179 . . . . 0.0 109.522 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.48 153.39 20.73 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.854 1.702 . . . . 0.0 111.931 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 162.86 15.12 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 p -74.36 -168.31 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.999 -1.295 . . . . 0.0 109.582 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.26 -50.31 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.439 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.42 87.41 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.271 -0.893 . . . . 0.0 109.055 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.76 -40.35 88.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.604 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 43.3 m80 -64.29 -40.02 95.1 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.397 -0.814 . . . . 0.0 108.826 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -60.11 -50.07 75.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 0.0 110.422 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -65.7 -51.82 56.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.881 -1.137 . . . . 0.0 109.875 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 -7.54 11.85 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.131 -0.98 . . . . 0.0 110.81 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.13 -40.33 94.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.699 -1.25 . . . . 0.0 109.761 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.8 -39.86 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.104 -0.998 . . . . 0.0 109.455 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.509 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 79.8 mt-30 -77.05 158.98 30.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.408 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.29 53.44 1.82 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.509 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 37.6 m0 -65.02 141.03 58.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -1.216 . . . . 0.0 109.551 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -75.35 131.1 40.02 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -126.57 147.89 49.82 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.766 -0.584 . . . . 0.0 110.016 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 109.001 179.094 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.33 158.13 44.58 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.352 -0.842 . . . . 0.0 110.293 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.604 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 22.6 m-85 -126.21 139.92 52.96 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.8 125.74 32.84 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.689 -1.257 . . . . 0.0 110.069 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.2 t -65.66 -30.12 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.275 -0.891 . . . . 0.0 110.696 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.3 mmm -70.33 -4.91 24.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.92 . . . . 0.0 110.58 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -101.87 -13.1 17.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.227 -0.92 . . . . 0.0 109.2 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 42.9 mtt -76.76 140.88 67.88 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 110.076 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -42.62 160.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.623 1.548 . . . . 0.0 111.461 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.9 m -60.65 -39.95 90.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 110.776 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -53.45 -51.26 63.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.843 -1.16 . . . . 0.0 110.149 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.16 -29.9 68.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.825 -1.172 . . . . 0.0 109.585 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.75 -50.0 75.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.68 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -31.58 72.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 109.467 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.56 -38.63 91.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.45 -45.48 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.313 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.418 HG22 HD11 ' A' ' 74' ' ' ILE . 49.7 mm -61.21 -43.16 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.279 -0.888 . . . . 0.0 108.872 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.369 -0.832 . . . . 0.0 110.431 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.18 -40.99 91.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.025 . . . . 0.0 109.543 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.766 . . . . 0.0 109.907 -179.603 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.421 0.629 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -132.11 134.92 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -139.67 140.52 36.91 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.99 144.86 50.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.351 -0.843 . . . . 0.0 110.734 -179.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -72.95 155.11 90.75 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.9 -23.18 33.2 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.999 1.799 . . . . 0.0 111.978 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.92 -49.67 76.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.101 -0.999 . . . . 0.0 108.817 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.91 -42.71 94.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.26 -53.05 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.312 -0.868 . . . . 0.0 110.411 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' 23' ' ' MET . 11.4 tmm? -52.31 -25.11 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.881 -1.137 . . . . 0.0 109.812 -179.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.76 -9.49 59.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.064 -1.022 . . . . 0.0 108.739 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.65 133.79 35.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.832 . . . . 0.0 109.302 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.01 -40.06 87.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.149 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.34 28.61 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -124.23 80.74 58.65 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.885 . . . . 0.0 108.706 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -86.52 167.43 8.82 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 123.013 2.476 . . . . 0.0 112.675 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.88 168.27 27.28 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.271 -2.332 . . . . 0.0 107.271 -179.036 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 -168.79 0.12 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.808 -1.407 . . . . 0.0 108.923 -179.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.74 -47.92 87.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.528 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.76 83.4 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.668 -1.27 . . . . 0.0 108.951 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.16 -39.26 49.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.03 -43.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -1.218 . . . . 0.0 108.106 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.564 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.1 m80 -60.02 -36.75 77.91 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -58.99 -45.24 91.1 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.193 -0.942 . . . . 0.0 109.134 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -63.63 -43.32 97.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.965 -1.085 . . . . 0.0 108.091 179.155 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.8 0.85 6.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.731 . . . . 0.0 110.946 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 5.0 m120 -72.89 -44.34 61.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.587 -1.321 . . . . 0.0 109.059 179.026 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.04 -47.53 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 109.204 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -80.19 155.23 27.5 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.51 70.13 0.21 Allowed Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -67.88 152.95 44.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.255 -1.144 . . . . 0.0 108.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -77.07 127.47 32.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -125.71 151.87 46.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.784 -0.573 . . . . 0.0 109.624 -178.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.265 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 50.1 mp0 -130.04 157.72 41.6 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.34 -0.85 . . . . 0.0 110.55 -178.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.0 m-85 -129.31 136.1 49.61 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -86.11 125.11 33.23 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.734 -1.229 . . . . 0.0 109.142 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 64' ' ' SER . 12.1 p -62.39 -30.98 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.071 -1.018 . . . . 0.0 110.776 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mmt -72.03 18.49 0.08 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.045 -1.035 . . . . 0.0 110.277 -179.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 62' ' ' VAL . 67.6 m -113.96 -31.59 6.34 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.434 -0.791 . . . . 0.0 111.195 -179.117 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -81.18 153.44 71.86 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 120.696 -1.253 . . . . 0.0 109.726 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 65' ' ' MET . 80.0 Cg_exo -41.88 171.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 0.0 111.972 178.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -67.89 -25.35 65.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.983 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 110.532 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.9 mp0 -64.02 -38.6 91.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 110.209 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -59.98 -44.59 94.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.933 -1.104 . . . . 0.0 109.875 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.23 -47.03 87.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.52 -39.45 77.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 110.063 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.47 -47.46 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.984 -1.072 . . . . 0.0 109.29 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.11 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.089 -1.007 . . . . 0.0 108.506 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.34 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.209 -0.932 . . . . 0.0 108.653 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.28 -42.36 99.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.4 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.5 mt -126.65 129.97 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 47' ' ' ARG . 51.3 m95 -141.42 131.33 24.45 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.2 m -139.13 152.94 47.86 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.128 -0.982 . . . . 0.0 110.594 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -72.86 153.62 91.13 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.73 -26.98 84.05 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.064 1.843 . . . . 0.0 111.9 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -60.0 -44.52 94.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.118 -0.988 . . . . 0.0 108.399 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.81 -40.47 96.71 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.352 -0.842 . . . . 0.0 108.908 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.7 mt -69.66 -43.93 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' A' ' 23' ' ' MET . 13.5 tmm? -52.15 -22.29 4.11 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.323 -0.86 . . . . 0.0 109.493 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.24 -5.41 54.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.17 -0.956 . . . . 0.0 109.355 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 128.79 34.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.879 . . . . 0.0 109.773 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -60.1 -39.88 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 108.829 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.12 -16.31 18.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.543 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 6.1 mtt -128.42 79.39 74.22 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.402 -1.058 . . . . 0.0 108.893 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.27 167.55 21.32 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.793 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.87 163.74 22.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 -179.044 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 p -69.78 -167.98 0.17 Allowed 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.715 -1.462 . . . . 0.0 108.503 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -57.06 -49.96 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.543 0 C-N-CA 118.873 -1.131 . . . . 0.0 108.536 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.63 86.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.132 -0.98 . . . . 0.0 109.474 179.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.48 -40.25 31.07 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.37 -40.55 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.301 . . . . 0.0 108.764 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.538 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 30.6 m80 -61.79 -28.85 69.75 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.372 -0.83 . . . . 0.0 109.226 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' C ' ' H ' ' A' ' 40' ' ' ASN . 35.8 mtt-85 -62.87 -40.09 96.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.155 -0.966 . . . . 0.0 108.531 178.246 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.85 0.82 3.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.647 -0.658 . . . . 0.0 109.678 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 38' ' ' ARG . 62.1 t-20 -73.19 -53.33 11.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 109.08 178.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.03 -42.02 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -83.15 149.81 26.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.329 -0.857 . . . . 0.0 109.845 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.5 70.47 0.23 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.632 ' CZ3' ' SD ' ' A' ' 65' ' ' MET . 24.5 m0 -66.95 165.58 15.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -1.14 . . . . 0.0 108.961 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.1 m -74.27 130.05 38.97 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -132.32 150.02 52.24 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.341 -0.849 . . . . 0.0 110.746 -177.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 16' ' ' TRP . 33.7 ptt180 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.95 155.0 47.53 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.293 -0.879 . . . . 0.0 110.632 -179.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.538 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 87.3 m-85 -126.9 136.74 52.72 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.27 115.96 26.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.974 -1.079 . . . . 0.0 109.705 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 t -65.86 -21.24 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.135 -0.978 . . . . 0.0 109.418 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.3 tpp -71.67 -5.1 31.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.485 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.5 t -105.95 -18.73 13.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.632 ' SD ' ' CZ3' ' A' ' 44' ' ' TRP . 42.3 mtm -79.78 148.71 69.49 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.926 -1.109 . . . . 0.0 110.025 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.82 163.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.836 1.691 . . . . 0.0 111.6 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -62.42 -39.87 94.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.955 . . . . 0.0 110.334 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.3 -50.65 69.02 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.132 -0.98 . . . . 0.0 110.537 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -65.47 -39.2 91.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.027 -1.046 . . . . 0.0 109.829 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.59 -44.68 93.29 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.999 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.168 -0.957 . . . . 0.0 110.442 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -68.94 -39.95 79.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.69 -44.86 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.968 -1.083 . . . . 0.0 108.839 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.96 -40.1 82.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.7 -38.83 70.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.903 -1.123 . . . . 0.0 108.941 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -64.79 -34.99 79.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.0 109.032 179.575 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.111 -0.993 . . . . 0.0 109.085 179.804 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 15' ' ' ILE . 96.6 mt -130.5 129.98 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.499 -0.751 . . . . 0.0 109.353 179.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ2' ' NH2' ' A' ' 47' ' ' ARG . 65.8 m95 -140.24 135.5 32.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -133.14 143.82 49.51 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.162 -0.961 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.92 161.19 78.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.6 -32.83 91.53 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.402 2.068 . . . . 0.0 111.961 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.97 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.57 -49.43 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.529 -0.732 . . . . 0.0 110.329 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 56.1 mtm -52.19 -22.74 4.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.608 -1.307 . . . . 0.0 110.353 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.97 -10.0 59.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.698 -1.251 . . . . 0.0 109.091 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.18 35.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.2 -0.937 . . . . 0.0 109.245 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.7 p-10 -62.05 -24.86 67.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.38 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -66.69 -30.63 76.61 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.0 mpt? -120.74 79.02 30.9 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.434 -1.039 . . . . 0.0 109.259 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -83.05 168.89 13.33 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.767 2.311 . . . . 0.0 112.52 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 167.58 35.11 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -71.31 -171.72 0.64 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.067 -1.255 . . . . 0.0 109.446 -179.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' N ' ' SD ' ' A' ' 23' ' ' MET . 49.0 t -57.52 -45.35 86.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.86 90.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.78 -1.2 . . . . 0.0 110.018 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.2 97.79 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.66 -40.04 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -1.044 . . . . 0.0 108.192 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 25.1 m80 -69.58 -28.46 65.99 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -59.97 -51.21 70.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.986 . . . . 0.0 110.727 -178.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 15.0 ptm180 -70.63 -41.48 72.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.607 -1.308 . . . . 0.0 109.681 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.93 -2.9 19.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.018 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -74.6 -43.02 57.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 0.0 109.204 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.9 -44.97 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.545 -0.722 . . . . 0.0 109.788 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.762 HE21 ' HE1' ' A' ' 44' ' ' TRP . 27.0 mt-30 -80.02 158.29 26.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.94 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.84 68.42 1.75 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.762 ' HE1' HE21 ' A' ' 42' ' ' GLN . 13.5 m0 -62.01 147.97 45.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.406 -1.055 . . . . 0.0 110.267 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -75.74 123.71 26.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.583 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -134.89 151.24 50.71 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.4 -0.813 . . . . 0.0 111.196 -177.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 ptp180 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.006 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.499 2.007 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.35 160.0 38.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.538 -0.726 . . . . 0.0 110.086 -179.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 36' ' ' HIS . 52.5 m-85 -123.48 148.63 46.04 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.31 116.5 28.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.068 -1.02 . . . . 0.0 108.97 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.85 -34.07 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.926 . . . . 0.0 110.534 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.0 mtp -68.53 -6.45 25.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.052 -1.03 . . . . 0.0 109.193 -178.515 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.7 p -102.63 -12.42 17.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 54.0 mtt -77.47 142.72 67.29 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -44.98 157.96 0.19 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.731 1.621 . . . . 0.0 112.067 179.062 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.0 m -60.02 -39.89 87.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.137 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 39.8 tttm -53.4 -49.56 67.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.582 -179.115 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.23 -38.68 88.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.985 -1.072 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -58.45 -39.27 79.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 109.659 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.97 -46.08 90.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.981 . . . . 0.0 109.505 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 68' ' ' LYS . 1.9 mp0 -68.36 -39.99 81.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.898 . . . . 0.0 110.513 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.76 -50.92 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.847 -1.158 . . . . 0.0 110.018 -179.095 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.97 -40.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.196 -0.94 . . . . 0.0 109.596 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.97 -39.37 71.69 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -66.71 -37.7 85.23 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.075 -1.015 . . . . 0.0 109.569 179.805 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.463 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.2 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.2 mt -134.39 131.88 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.397 -0.814 . . . . 0.0 109.608 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.9 m95 -145.43 130.03 17.98 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.9 m -128.03 139.93 52.26 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.276 -0.89 . . . . 0.0 110.493 -178.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 175.84 3.68 Favored Pre-proline 0 N--CA 1.492 1.666 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.28 -32.13 42.43 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 121.918 1.745 . . . . 0.0 112.483 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.07 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.951 -1.093 . . . . 0.0 109.348 -179.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.44 -44.89 95.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.174 -0.953 . . . . 0.0 108.738 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -70.02 -51.29 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.58 -0.7 . . . . 0.0 109.648 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 31' ' ' SER . 33.6 mmm -42.92 -30.78 0.43 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 111.621 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.25 -6.98 58.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.799 -1.188 . . . . 0.0 109.636 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 127.27 32.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.089 -1.007 . . . . 0.0 109.945 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -39.34 85.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.359 -0.838 . . . . 0.0 109.483 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.553 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.36 -16.96 16.89 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.498 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -130.02 79.87 72.18 Favored Pre-proline 0 N--CA 1.502 2.128 0 O-C-N 121.084 -1.245 . . . . 0.0 109.126 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.6 164.99 14.16 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.938 2.425 . . . . 0.0 112.693 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.6 166.91 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' SD ' ' A' ' 23' ' ' MET . 24.7 p -71.83 -167.6 0.3 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.001 -1.294 . . . . 0.0 109.328 -179.456 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.81 -48.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.105 -0.997 . . . . 0.0 108.534 -179.338 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.119 -0.988 . . . . 0.0 109.749 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.26 -39.99 93.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.63 -41.41 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.247 -1.149 . . . . 0.0 108.418 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 36.9 m80 -61.54 -38.22 86.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.645 -0.659 . . . . 0.0 109.834 179.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.023 -1.048 . . . . 0.0 109.837 -178.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 63.7 ttt180 -63.2 -49.44 74.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.937 -1.102 . . . . 0.0 109.745 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.97 3.83 3.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.266 -0.897 . . . . 0.0 110.685 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.38 -40.96 73.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.885 -1.134 . . . . 0.0 108.789 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.19 -46.27 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.529 -0.732 . . . . 0.0 109.601 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -74.04 143.14 45.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.672 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.19 55.55 4.76 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -62.36 145.14 54.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 0.0 109.4 179.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.2 m -72.7 129.99 39.5 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -127.48 139.61 52.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.585 -0.697 . . . . 0.0 109.206 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.434 HH11 ' HG3' ' A' ' 47' ' ' ARG . 1.6 ptm180 . . . . . 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 108.87 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.499 1.978 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -129.28 154.73 46.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.793 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.6 m-85 -122.37 136.43 54.9 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 12.2 p-10 -84.92 117.3 23.84 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.782 -1.199 . . . . 0.0 109.167 179.319 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 t -67.45 -19.88 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.087 -1.008 . . . . 0.0 111.279 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.9 mtp -72.73 3.85 4.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.762 -1.211 . . . . 0.0 110.885 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.0 p -108.1 -18.2 13.84 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.12 -0.987 . . . . 0.0 110.821 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.9 ptp -82.29 149.96 63.04 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.68 -1.263 . . . . 0.0 109.616 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -169.86 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.942 1.762 . . . . 0.0 111.967 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 t -74.04 -38.36 64.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.25 -0.906 . . . . 0.0 112.741 -177.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -55.04 -52.46 63.1 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.401 -1.437 . . . . 0.0 111.035 -177.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 45.8 mp0 -66.58 -37.24 84.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.891 -1.13 . . . . 0.0 110.094 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.72 -41.51 91.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.948 -1.095 . . . . 0.0 109.716 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.057 -1.027 . . . . 0.0 109.739 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -64.65 -40.03 94.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 0.0 109.544 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.46 -51.37 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.971 -1.08 . . . . 0.0 109.491 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.53 -41.82 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.88 -1.137 . . . . 0.0 109.737 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.93 70.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 110.024 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -64.25 -43.88 93.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.084 -1.01 . . . . 0.0 110.255 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.492 1.637 0 O-C-N 120.901 -1.124 . . . . 0.0 109.454 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.2 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.4 mt -130.94 130.13 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CH2' ' CZ ' ' A' ' 47' ' ' ARG . 41.7 m95 -140.77 133.16 28.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.189 -0.945 . . . . 0.0 108.645 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.9 m -130.01 140.0 50.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.357 -0.84 . . . . 0.0 109.917 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -74.99 165.52 53.26 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.75 -29.21 79.7 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 121.853 1.702 . . . . 0.0 112.727 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -58.87 -44.97 91.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.94 -1.1 . . . . 0.0 108.279 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 39.7 mp0 -65.23 -40.64 94.32 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.914 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.1 mt -70.47 -53.16 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 110.234 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 61.2 mtm -51.77 -21.6 2.93 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.376 -1.453 . . . . 0.0 109.715 -179.298 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -9.95 59.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.968 -1.083 . . . . 0.0 109.328 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.14 124.93 31.67 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.135 -0.978 . . . . 0.0 109.045 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 26' ' ' ASP . 61.2 t0 -60.17 -40.07 88.66 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.364 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.96 -22.68 35.76 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.7 mtt -120.04 78.97 25.32 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.314 -1.109 . . . . 0.0 109.292 -179.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.22 161.47 23.11 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.753 2.302 . . . . 0.0 112.611 -178.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.7 161.23 22.1 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.454 ' C ' ' SD ' ' A' ' 23' ' ' MET . 77.9 p -72.75 -165.31 0.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.171 -1.194 . . . . 0.0 109.367 -179.598 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' SD ' ' A' ' 23' ' ' MET . 41.9 t -56.71 -48.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.468 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.05 88.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.068 -1.02 . . . . 0.0 109.961 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.17 -45.73 94.88 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.09 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.243 . . . . 0.0 108.528 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 20.2 m80 -68.2 -33.72 74.94 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.04 -51.76 68.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.344 -0.847 . . . . 0.0 110.748 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.97 -37.92 79.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.822 -1.174 . . . . 0.0 109.691 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.12 -10.7 60.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.795 -178.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.38 -39.82 77.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.65 -43.6 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -80.34 159.53 25.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.4 -0.813 . . . . 0.0 109.689 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.73 60.02 4.25 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -69.7 144.83 52.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.183 -1.186 . . . . 0.0 109.705 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 m -78.51 121.5 24.67 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -131.97 144.3 50.72 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.573 ' CZ ' ' CH2' ' A' ' 16' ' ' TRP . 4.2 ptp180 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.05 -1.031 . . . . 0.0 109.588 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -132.33 153.92 50.24 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 53.1 m-85 -123.71 132.49 53.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -93.86 109.23 20.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.877 -1.14 . . . . 0.0 108.843 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -66.21 -11.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.153 -0.967 . . . . 0.0 110.123 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 45.9 ttm -71.56 -9.77 58.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.083 -1.011 . . . . 0.0 108.442 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -103.47 -10.8 18.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 0.0 109.518 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -77.43 154.3 81.71 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.037 -1.039 . . . . 0.0 109.104 179.506 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.52 166.32 24.28 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.76 1.64 . . . . 0.0 110.431 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.7 p -60.18 -39.58 86.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.872 -1.143 . . . . 0.0 110.427 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -55.21 -58.54 7.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.939 -1.1 . . . . 0.0 110.303 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.23 -40.06 82.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.049 -1.032 . . . . 0.0 110.327 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.84 -46.57 88.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.852 -1.155 . . . . 0.0 108.983 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -61.78 -39.9 93.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.552 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.94 -39.84 91.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 109.639 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.65 -49.52 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.98 -1.075 . . . . 0.0 108.793 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 74' ' ' ILE . 96.3 mt -60.11 -39.39 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.816 -1.177 . . . . 0.0 108.656 179.414 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.59 -34.17 57.44 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -61.89 -40.12 94.31 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.793 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.53 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 4.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 107.84 -1.171 . . . . 1.0700000000000001 107.84 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -110.02 129.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 108.644 -0.873 . . . . 1.9299999999999999 108.644 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.53 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 80.1 m95 -139.07 129.19 25.26 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.482 -0.933 . . . . 0.83999999999999997 108.482 -179.196 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.8 m -131.56 141.38 49.68 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.449 -0.782 . . . . 1.1499999999999999 109.931 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.26 160.37 82.77 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 2.0 108.85 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.38 -26.32 52.58 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.539 2.159 . . . . 0.92000000000000004 111.037 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.03 -52.71 64.21 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.869 -0.789 . . . . 3.21 108.869 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.468 -0.77 . . . . 2.1400000000000001 108.973 -179.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.05 -49.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 C-N-CA 119.592 -0.843 . . . . 1.21 108.785 179.176 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -44.83 -29.68 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.099 -1.0 . . . . 1.9099999999999999 110.337 179.817 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -8.24 57.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.958 -1.089 . . . . 1.3400000000000001 109.731 -178.415 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.1 127.57 33.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.133 -0.979 . . . . 1.1599999999999999 109.493 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.03 -44.07 94.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -0.914 . . . . 2.29 109.944 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -52.08 -16.18 2.96 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.57 -1.012 . . . . 0.73999999999999999 110.57 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mtt -130.03 79.98 71.94 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.289 -1.124 . . . . 1.3 109.865 -179.275 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.15 170.13 12.36 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.96 2.44 . . . . 0.77000000000000002 112.727 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.74 27.79 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.547 -1.821 . . . . 0.76000000000000001 108.547 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' SD ' ' A' ' 23' ' ' MET . 70.7 p -71.8 -169.04 0.41 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.015 -1.285 . . . . 1.1599999999999999 108.885 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.6 -48.72 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.01 -1.056 . . . . 1.47 108.872 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.99 87.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.188 -0.945 . . . . 1.3600000000000001 109.577 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.37 -41.53 71.99 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.04 -1.624 . . . . 0.71999999999999997 109.04 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.84 -43.37 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 1.1899999999999999 108.155 178.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.544 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 34.5 m80 -60.06 -39.78 87.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.552 -0.717 . . . . 1.1699999999999999 109.497 179.632 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -55.14 -45.29 75.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.202 -0.936 . . . . 1.6100000000000001 108.621 -179.613 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 52.7 ttt180 -67.15 -48.76 67.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.495 -0.753 . . . . 3.1800000000000002 110.052 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.22 3.57 3.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 1.3 109.637 -179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -76.68 -46.24 26.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.371 -0.831 . . . . 2.7999999999999998 109.405 179.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.0 -40.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.407 -0.808 . . . . 1.6699999999999999 109.247 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -84.23 150.22 25.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.332 -0.855 . . . . 2.77 109.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.04 61.49 2.61 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.035 -1.626 . . . . 0.90000000000000002 109.035 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.596 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 31.3 m0 -59.32 150.8 25.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -1.133 . . . . 0.83999999999999997 109.284 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -75.58 122.58 24.12 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 106.868 -1.53 . . . . 1.4299999999999999 106.868 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -130.05 155.64 45.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.39 -0.819 . . . . 2.6499999999999999 110.295 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.668 -0.864 . . . . 3.0499999999999998 108.668 179.017 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 102.933 -2.988 . . . . 2.3100000000000001 102.933 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.66 151.2 33.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.184 -0.948 . . . . 2.1800000000000002 110.076 -176.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 64.6 m-85 -116.78 138.43 51.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.814 -0.81 . . . . 1.0800000000000001 108.814 -179.064 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.1 115.66 23.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.133 -0.979 . . . . 1.98 108.775 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.81 -20.6 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 1.8999999999999999 109.693 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.08 -2.78 29.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 1.99 110.654 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.3 p -106.78 -15.8 14.64 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.092 -1.005 . . . . 1.8600000000000001 110.047 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 8.7 mtt -79.98 147.89 66.89 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.838 -1.164 . . . . 1.8700000000000001 109.622 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.6 Cg_exo -44.03 170.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.632 1.555 . . . . 1.05 111.345 178.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.81 86.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 2.1200000000000001 109.343 179.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -55.16 -55.3 32.7 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.892 . . . . 3.4199999999999999 111.546 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.703 -1.248 . . . . 2.6200000000000001 109.131 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.97 -44.48 94.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.022 -1.049 . . . . 3.5899999999999999 109.757 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -60.09 -39.87 87.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.559 -1.338 . . . . 2.3199999999999998 108.914 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -60.92 -40.14 92.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.38 -0.825 . . . . 2.8399999999999999 108.813 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.52 -47.18 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 1.23 109.795 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.434 HG23 HD13 ' A' ' 74' ' ' ILE . 48.4 mm -60.01 -42.78 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.023 -1.048 . . . . 1.9399999999999999 108.544 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.495 -0.753 . . . . 1.28 110.503 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -60.18 -40.42 89.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.103 . . . . 1.1200000000000001 109.109 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 107.963 -1.125 . . . . 2.1000000000000001 107.963 178.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.419 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m -79.6 159.77 26.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.179 -0.95 . . . . 0.0 108.969 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -132.62 129.99 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CE3' ' OD1' ' A' ' 61' ' ' ASP . 29.0 m95 -139.95 130.85 26.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.6 m -130.04 141.63 50.71 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.362 -0.836 . . . . 0.0 110.035 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.01 158.02 86.28 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.897 . . . . 0.0 109.463 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.51 -26.89 74.0 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.813 2.342 . . . . 0.0 112.655 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -59.95 -44.43 94.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.987 -1.07 . . . . 0.0 108.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 40.0 mp0 -68.33 -40.1 81.73 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.255 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 82.9 mt -68.9 -54.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.337 -0.852 . . . . 0.0 110.546 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -14.29 46.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.752 -1.218 . . . . 0.0 110.33 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.42 -6.24 57.76 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.15 131.19 35.68 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 108.577 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.2 -24.16 50.23 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.505 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 8.1 mtt -121.8 80.13 40.77 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.539 -0.977 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.85 168.85 17.12 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.814 2.343 . . . . 0.0 112.564 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.24 165.47 28.74 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -70.03 -168.31 0.2 Allowed 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.985 -1.303 . . . . 0.0 108.955 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.26 -46.59 88.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.187 -0.945 . . . . 0.0 109.294 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.665 -1.272 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.99 -40.2 50.26 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.33 -40.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.209 -1.171 . . . . 0.0 108.162 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 61.7 m80 -59.97 -33.93 72.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.814 . . . . 0.0 109.092 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 66.9 t80 -59.54 -47.45 85.47 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 109.227 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -65.02 -40.4 94.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.752 -1.218 . . . . 0.0 108.884 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.75 1.57 8.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.601 -0.687 . . . . 0.0 110.444 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.522 ' ND2' ' C ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -74.89 -37.69 62.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.946 -1.097 . . . . 0.0 109.176 179.472 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 74.8 t -69.9 -58.09 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.661 -0.65 . . . . 0.0 111.065 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.05 159.73 26.07 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.183 . . . . 0.0 110.607 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.55 69.4 2.51 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD2' ' SD ' ' A' ' 65' ' ' MET . 14.5 m0 -59.69 146.77 40.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.641 -0.917 . . . . 0.0 110.025 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.4 m -76.93 121.21 23.13 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -128.47 150.29 50.21 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.756 -0.59 . . . . 0.0 109.543 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -141.87 131.64 24.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.475 -0.766 . . . . 0.0 109.016 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' NZ ' ' NZ ' ' A' ' 56' ' ' LYS . 23.8 mtpp -91.09 98.77 11.96 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 51' ' ' GLY . 60.6 tttm -81.22 154.46 26.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.011 -1.055 . . . . 0.0 108.963 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.25 26.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.391 -0.818 . . . . 0.0 111.12 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 49' ' ' LYS . . . 78.72 130.17 0.62 Allowed Glycine 0 N--CA 1.495 2.616 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 14.2 p -97.07 100.22 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.225 -1.162 . . . . 0.0 107.953 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 50.87 32.23 7.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.052 -1.03 . . . . 0.0 108.96 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.71 -115.09 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.77 130.16 2.02 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.081 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' NZ ' ' NZ ' ' A' ' 48' ' ' LYS . 5.8 mmtt 59.83 80.94 0.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.29 -1.124 . . . . 0.0 110.288 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.58 132.48 48.64 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.057 -1.027 . . . . 0.0 108.334 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.67 138.71 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.349 -0.844 . . . . 0.0 110.118 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -133.03 158.23 43.25 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.448 -0.783 . . . . 0.0 110.169 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.9 m-85 -129.41 149.71 51.08 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' CE3' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -95.03 112.04 23.79 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.019 -1.051 . . . . 0.0 109.153 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.45 -24.46 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 110.464 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.8 tpp -70.34 -15.53 62.88 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.198 -0.939 . . . . 0.0 110.258 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.5 p -99.67 -8.53 24.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.881 -1.137 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.482 ' SD ' ' CD2' ' A' ' 44' ' ' TRP . 15.6 mmt -78.58 146.57 69.78 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.083 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -41.55 155.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.677 1.585 . . . . 0.0 111.714 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.0 m -59.98 -39.92 87.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.999 -1.063 . . . . 0.0 109.192 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.34 -42.78 78.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 108.771 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.24 -38.67 91.89 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -58.84 -39.29 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.619 -0.675 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.956 -1.09 . . . . 0.0 109.002 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -62.11 -40.01 94.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.471 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.68 -49.86 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.713 -1.242 . . . . 0.0 109.022 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -60.65 -40.03 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.23 88.79 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.389 -0.819 . . . . 0.0 109.422 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 108.849 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.04 -31.43 69.06 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.94 -14.74 53.92 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.9 mt -83.1 -2.17 54.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.205 -1.173 . . . . 0.0 109.223 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -150.51 -34.74 0.16 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.944 -1.098 . . . . 0.0 110.131 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.199 -0.938 . . . . 0.0 109.686 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -80.11 160.41 25.75 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.194 -0.941 . . . . 0.0 109.455 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.88 133.46 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -143.14 136.6 28.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.131 -0.98 . . . . 0.0 109.587 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.87 137.71 49.48 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.262 -0.899 . . . . 0.0 110.637 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.613 ' HG ' ' N ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -75.25 159.87 81.33 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.451 -0.781 . . . . 0.0 109.12 179.105 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.613 ' N ' ' HG ' ' A' ' 18' ' ' SER . 12.4 Cg_endo -54.2 -35.16 81.89 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.189 1.926 . . . . 0.0 111.843 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 12.4 pt20 -60.09 -43.71 95.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.672 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 95.7 mt-10 -62.35 -41.12 98.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.279 -0.888 . . . . 0.0 108.687 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.7 -44.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 31' ' ' SER . 38.7 mmm -48.17 -25.4 1.47 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.326 -0.859 . . . . 0.0 110.147 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 -10.14 59.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.917 -1.115 . . . . 0.0 109.718 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 117.08 24.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.108 -0.995 . . . . 0.0 109.807 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 34.4 p-10 -61.62 -33.13 73.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -54.95 -29.91 52.5 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -119.4 84.29 28.57 Favored Pre-proline 0 N--CA 1.499 2.02 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.62 172.39 11.32 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.815 2.343 . . . . 0.0 112.886 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.61 160.79 24.96 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' SD ' ' A' ' 23' ' ' MET . 55.7 p -71.69 -165.86 0.18 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.029 -1.277 . . . . 0.0 108.968 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.57 -50.14 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.905 -1.122 . . . . 0.0 109.004 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.76 88.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.747 -1.221 . . . . 0.0 108.593 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.17 -41.95 71.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.47 -42.62 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.195 -1.179 . . . . 0.0 107.964 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.578 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 67.0 m80 -60.05 -38.28 82.3 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.654 -0.654 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -57.21 -49.29 76.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.16 -0.963 . . . . 0.0 108.966 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' NH1' ' HG3' ' A' ' 38' ' ' ARG . 38.9 ttm-85 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.939 -1.1 . . . . 0.0 108.77 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.57 9.58 4.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.384 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -76.19 -51.73 11.52 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.877 -1.139 . . . . 0.0 109.211 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.4 -40.11 77.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.656 -0.653 . . . . 0.0 109.889 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.36 153.89 31.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.725 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.93 63.96 1.47 Allowed Glycine 0 N--CA 1.498 2.777 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -62.19 148.55 44.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -1.143 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -78.75 130.49 35.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.0 mtpm? -133.06 150.24 52.12 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.4 -0.812 . . . . 0.0 110.448 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -143.78 143.8 31.52 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -83.51 146.16 28.52 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -150.1 112.87 4.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.96 -1.087 . . . . 0.0 110.651 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -80.06 151.41 29.92 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.86 -65.2 0.19 Allowed Glycine 0 N--CA 1.491 2.348 0 C-N-CA 119.421 -1.371 . . . . 0.0 109.711 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.19 133.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -1.113 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 54' ' ' GLY . 58.6 tttm -65.87 128.49 36.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.352 -0.843 . . . . 0.0 109.733 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 53' ' ' LYS . . . 60.54 143.47 0.01 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 87.6 -23.48 12.77 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' GLY . 68.2 mttm 53.93 164.7 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -1.057 . . . . 0.0 109.823 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.03 135.54 54.89 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.321 -0.862 . . . . 0.0 110.427 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.23 145.12 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.9 mp0 -135.19 159.23 42.19 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.827 -1.171 . . . . 0.0 111.964 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.578 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 86.0 m-85 -129.43 144.6 51.31 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' SD ' ' A' ' 65' ' ' MET . 54.7 t0 -94.99 117.02 29.44 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.841 -1.162 . . . . 0.0 109.23 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.27 -21.96 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.162 -0.961 . . . . 0.0 109.976 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.6 mmt -75.06 1.95 11.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.343 -0.848 . . . . 0.0 111.07 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.474 ' HG ' ' N ' ' A' ' 65' ' ' MET . 6.4 p -107.03 -27.62 10.52 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.987 -1.07 . . . . 0.0 110.456 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.474 ' N ' ' HG ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -82.36 155.15 69.32 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.68 -1.262 . . . . 0.0 108.543 178.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 65' ' ' MET . 87.6 Cg_exo -40.88 164.75 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.942 1.761 . . . . 0.0 111.952 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.9 p -70.23 -26.46 63.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.159 -0.963 . . . . 0.0 110.799 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.93 -42.92 95.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.944 -1.098 . . . . 0.0 110.255 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -66.4 -38.91 88.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.805 -1.184 . . . . 0.0 109.941 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -59.44 -42.99 93.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.985 . . . . 0.0 110.585 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.14 -40.01 88.33 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.929 -1.107 . . . . 0.0 108.836 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -66.87 -39.98 87.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.4 t -69.71 -44.62 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.197 -0.94 . . . . 0.0 109.494 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.56 -43.22 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.167 -0.958 . . . . 0.0 109.794 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.65 95.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.709 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -62.31 -42.1 99.08 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.205 -0.934 . . . . 0.0 108.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.0 -31.49 69.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 109.799 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.91 92.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.8 -7.61 55.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.995 -1.297 . . . . 0.0 109.52 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' THR . 4.9 t -102.38 2.83 37.21 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.541 -0.725 . . . . 0.0 109.476 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' SER . 8.5 p . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.679 -0.638 . . . . 0.0 110.104 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 pttt . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.23 0.538 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -79.99 165.38 22.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.448 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.4 mt -130.16 131.41 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -140.55 130.89 25.15 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -135.16 150.07 50.09 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.163 -0.961 . . . . 0.0 110.89 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 162.67 72.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.314 -0.866 . . . . 0.0 109.17 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.66 -27.86 76.38 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.013 1.809 . . . . 0.0 111.716 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.81 -41.98 92.44 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.848 -1.158 . . . . 0.0 108.088 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.46 -40.41 91.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.426 HG22 HD12 ' A' ' 22' ' ' ILE . 95.7 mt -69.48 -46.32 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.166 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 89.5 mtp -47.33 -25.59 1.04 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.892 -1.13 . . . . 0.0 110.188 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.87 -8.17 59.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.975 -1.078 . . . . 0.0 109.305 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.3 118.72 24.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.101 -1.0 . . . . 0.0 109.906 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.03 -39.93 91.68 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -54.05 -16.54 6.3 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 mtt -130.07 79.09 73.62 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.465 -1.021 . . . . 0.0 108.557 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -79.71 170.57 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.74 2.294 . . . . 0.0 112.866 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.37 158.31 25.98 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 p -70.86 -166.24 0.14 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.027 -1.278 . . . . 0.0 108.711 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -55.63 -48.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.82 -1.175 . . . . 0.0 108.927 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.13 84.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.074 -1.017 . . . . 0.0 109.553 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.08 94.01 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.09 -42.25 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.865 -1.373 . . . . 0.0 107.872 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.555 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 29.8 m80 -60.65 -31.04 70.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.656 -0.652 . . . . 0.0 109.811 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -59.71 -49.64 76.96 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.027 -1.045 . . . . 0.0 108.997 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.545 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 51.5 mtp180 -62.64 -40.84 98.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.91 -1.119 . . . . 0.0 109.574 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.14 40.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.828 . . . . 0.0 109.956 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.69 -48.02 42.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 108.36 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.97 -44.13 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -80.65 157.55 25.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 0.0 110.41 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.11 70.08 0.24 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -65.17 157.17 29.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -1.052 . . . . 0.0 109.633 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -79.56 118.99 21.92 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -129.06 159.9 34.47 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.934 0.873 . . . . 0.0 111.136 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -138.91 115.13 10.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -82.3 159.48 23.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.133 -0.979 . . . . 0.0 111.785 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -154.94 133.81 12.19 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 51' ' ' GLY . 45.4 mt-10 64.6 37.23 7.94 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 45.08 99.95 0.01 OUTLIER Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 2.0 m -106.34 121.69 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.355 -1.085 . . . . 0.0 110.222 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -114.01 -4.76 13.17 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.85 -0.71 0.03 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.11 -119.5 0.48 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 52.01 -141.47 0.82 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.285 -1.126 . . . . 0.0 109.935 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.44 110.53 20.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.054 -1.029 . . . . 0.0 110.99 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.79 145.18 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -127.6 145.0 51.02 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.195 -0.941 . . . . 0.0 110.592 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.555 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.1 m-85 -119.46 140.9 49.7 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.825 -0.547 . . . . 0.0 109.612 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 18.4 p-10 -99.25 125.31 44.84 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.227 -0.92 . . . . 0.0 109.57 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.78 -18.63 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -75.72 8.39 3.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.649 -1.282 . . . . 0.0 111.07 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.8 p -107.02 -24.04 12.12 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.005 -1.059 . . . . 0.0 111.285 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -78.24 159.49 75.19 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 120.462 -1.399 . . . . 0.0 109.232 179.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.92 171.11 11.62 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.39 2.06 . . . . 0.0 111.534 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.403 ' HG1' ' N ' ' A' ' 68' ' ' LYS . 61.2 p -60.76 -39.95 90.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.935 -1.103 . . . . 0.0 111.702 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' N ' ' HG1' ' A' ' 67' ' ' THR . 88.0 tttt -56.84 -49.92 73.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 0.0 110.012 -178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 4.6 mp0 -67.74 -37.56 82.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.024 -1.047 . . . . 0.0 110.153 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -59.41 -39.79 84.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.572 -1.33 . . . . 0.0 109.426 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.26 -40.08 89.09 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.057 -1.027 . . . . 0.0 108.881 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -65.16 -39.59 93.15 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.214 -0.929 . . . . 0.0 108.618 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -70.21 -50.12 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.875 . . . . 0.0 109.52 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.25 -39.94 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.71 77.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.803 . . . . 0.0 109.75 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -63.15 -41.92 99.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 108.917 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.5 -39.2 88.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 108.71 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.04 95.94 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.77 -0.67 57.24 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.542 -1.563 . . . . 0.0 109.388 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.1 m -89.25 2.11 54.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.358 -0.839 . . . . 0.0 108.864 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.961 . . . . 0.0 109.295 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.435 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.6 m -80.2 165.32 22.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.096 -1.003 . . . . 0.0 109.452 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 97.8 mt -132.47 130.55 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.435 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 44.9 m95 -141.1 140.1 34.1 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.322 -0.861 . . . . 0.0 108.837 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -130.06 139.05 51.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.296 -0.878 . . . . 0.0 110.312 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -73.04 153.25 90.82 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.476 -0.765 . . . . 0.0 108.997 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' MET . 7.1 Cg_endo -49.21 -34.98 32.69 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.957 1.771 . . . . 0.0 111.571 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.89 -47.29 86.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.03 -43.17 83.48 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.265 -0.897 . . . . 0.0 108.939 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 85.9 mt -71.38 -53.36 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.423 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' PRO . 12.7 tmm? -51.29 -20.96 1.87 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.922 -1.111 . . . . 0.0 110.224 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -5.8 51.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.719 -1.238 . . . . 0.0 108.784 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.45 127.95 33.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.94 -10.23 3.43 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.515 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 5.8 mtt -130.32 81.37 68.45 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.452 -1.028 . . . . 0.0 108.699 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 60.5 Cg_endo -82.37 161.15 17.38 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 123.108 2.539 . . . . 0.0 113.484 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.62 23.49 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.242 -1.943 . . . . 0.0 108.242 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -70.42 -170.06 0.36 Allowed 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.802 -1.411 . . . . 0.0 108.643 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.79 -43.32 87.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.219 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.66 83.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.834 -1.166 . . . . 0.0 109.2 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.42 88.22 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.94 -42.34 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.244 -1.15 . . . . 0.0 108.176 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 45.2 m80 -60.71 -34.31 74.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.616 -0.678 . . . . 0.0 109.629 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.25 -52.6 64.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.157 -0.965 . . . . 0.0 110.045 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -70.19 -39.78 75.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.606 -1.309 . . . . 0.0 109.403 178.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.546 -1.346 . . . . 0.0 109.23 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.25 -40.06 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 95.8 mt-30 -80.05 152.52 29.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.333 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.91 58.31 5.04 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 16.1 m0 -73.2 143.3 47.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -1.159 . . . . 0.0 109.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 128.99 34.51 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -129.11 154.48 46.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.475 -0.766 . . . . 0.0 109.919 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -143.97 145.55 32.32 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -92.57 111.53 23.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.166 -0.959 . . . . 0.0 110.207 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -89.0 113.54 24.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.2 -0.937 . . . . 0.0 109.486 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -80.67 9.98 5.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.246 -0.909 . . . . 0.0 109.864 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.03 -34.42 79.0 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.72 134.41 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.968 -1.313 . . . . 0.0 109.475 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.359 -0.838 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.25 87.52 0.1 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 176.81 -15.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 55' ' ' GLY . 24.2 ttpp 57.08 113.4 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.595 -0.944 . . . . 0.0 110.16 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.96 156.9 16.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.367 -0.833 . . . . 0.0 109.559 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.92 135.78 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -129.21 155.65 45.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.299 -0.876 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.475 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 89.1 m-85 -128.73 150.03 50.45 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -93.97 120.76 34.67 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.007 -1.058 . . . . 0.0 109.29 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.23 -33.89 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.935 . . . . 0.0 109.996 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 99.7 mtp -71.68 3.12 4.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.437 -0.789 . . . . 0.0 111.063 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 t -106.95 -26.37 11.22 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.111 -0.993 . . . . 0.0 110.434 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 66' ' ' PRO . 5.6 ptp -81.94 151.75 67.69 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.998 -1.064 . . . . 0.0 109.843 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 62.3 Cg_exo -36.28 160.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.567 2.178 . . . . 0.0 112.486 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.6 m -69.36 -31.73 70.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.471 -0.768 . . . . 0.0 110.208 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.538 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 98.2 mttt -59.84 -42.99 94.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.32 -35.58 81.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.712 -1.243 . . . . 0.0 108.711 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -59.43 -40.02 85.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 0.0 108.958 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.74 -40.68 93.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.036 -1.04 . . . . 0.0 108.383 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.09 -39.92 90.39 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -68.37 -45.46 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 108.496 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.0 -46.94 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 121.681 0.753 . . . . 0.0 109.119 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.44 74.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 109.52 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -60.08 -40.71 90.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.205 -0.935 . . . . 0.0 110.232 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.08 -38.11 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.917 -1.114 . . . . 0.0 108.989 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.19 -50.37 68.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.572 ' C ' ' H ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -93.96 -169.15 2.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.112 -1.228 . . . . 0.0 109.401 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m 56.8 -5.26 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.772 -0.58 . . . . 0.0 110.972 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.572 ' H ' ' C ' ' A' ' 79' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.015 -1.053 . . . . 0.0 109.619 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 pttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.47 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.0 m -80.01 163.94 23.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -120.2 130.75 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.47 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 75.2 m95 -143.59 131.34 21.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.109 -0.994 . . . . 0.0 109.002 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.4 m -132.1 143.9 50.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.509 -0.745 . . . . 0.0 110.17 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 162.25 75.16 Favored Pre-proline 0 N--CA 1.491 1.588 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.19 -31.63 93.88 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.559 2.173 . . . . 0.0 112.243 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -59.81 -43.22 94.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 109.321 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -62.35 -40.27 95.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.102 -0.998 . . . . 0.0 108.407 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.3 -47.75 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.663 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 44.7 mtm -53.07 -21.33 4.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.656 -1.277 . . . . 0.0 110.09 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.52 -10.01 59.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.93 124.82 32.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.13 -0.981 . . . . 0.0 109.469 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 25.0 p-10 -60.01 -39.5 86.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -0.846 . . . . 0.0 109.596 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.29 -24.21 44.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 mtt -122.72 79.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.454 -1.027 . . . . 0.0 108.881 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -84.67 173.44 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 123.006 2.471 . . . . 0.0 112.892 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 161.96 34.56 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.6 p -71.07 -167.42 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.04 -1.271 . . . . 0.0 108.648 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' N ' ' SD ' ' A' ' 23' ' ' MET . 55.5 t -56.41 -45.65 81.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 110.274 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.526 -1.359 . . . . 0.0 109.741 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.24 -40.65 92.09 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.28 -43.84 98.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.172 -1.193 . . . . 0.0 107.991 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.591 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 24.9 m80 -62.16 -28.49 69.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.655 -0.653 . . . . 0.0 109.616 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.9 -41.89 92.63 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 60.4 mtp180 -64.4 -43.07 95.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.311 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.84 7.74 8.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.422 -0.799 . . . . 0.0 110.225 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -74.68 -51.55 14.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.309 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.98 -41.19 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.739 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.534 HE21 ' HE1' ' A' ' 44' ' ' TRP . 27.1 mt-30 -94.8 151.52 19.18 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.243 -0.911 . . . . 0.0 110.063 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.02 65.47 1.95 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.534 ' HE1' HE21 ' A' ' 42' ' ' GLN . 13.5 m0 -47.21 156.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.387 -1.066 . . . . 0.0 109.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -76.31 129.12 36.16 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -138.16 159.58 41.67 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.324 -0.86 . . . . 0.0 110.56 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -145.66 142.24 28.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.13 103.95 16.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.452 -0.78 . . . . 0.0 109.982 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' GLU . 18.1 tptm -87.38 117.28 26.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.94 -1.1 . . . . 0.0 108.853 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' LYS . 51.9 mm-40 36.45 -144.24 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.377 0.608 . . . . 0.0 110.582 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.57 67.02 0.31 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 53' ' ' LYS . 11.2 m -91.23 157.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.285 -1.126 . . . . 0.0 110.423 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 55' ' ' GLY . 60.7 tttm 55.84 162.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.593 -0.692 . . . . 0.0 109.646 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.52 22.17 0.86 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . -137.17 6.64 3.69 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 55' ' ' GLY . 96.7 mttt 54.4 167.7 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.612 -0.934 . . . . 0.0 109.39 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.36 121.46 42.34 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 108.328 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.49 144.1 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.465 -0.772 . . . . 0.0 109.027 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.8 mp0 -128.67 158.2 39.21 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.639 0.733 . . . . 0.0 110.037 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 95.0 m-85 -120.51 143.7 48.42 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.32 110.93 22.34 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.033 -1.042 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.87 -30.04 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.112 -0.992 . . . . 0.0 109.535 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.6 ttm -69.65 -7.78 41.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 t -102.8 -14.31 16.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.479 -0.763 . . . . 0.0 108.949 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 mtt -81.08 152.06 70.84 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.398 -0.814 . . . . 0.0 109.832 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.9 168.46 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.637 1.558 . . . . 0.0 111.103 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.6 p -74.04 -31.76 63.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 0.0 111.466 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -57.61 -49.19 77.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.986 -1.071 . . . . 0.0 110.159 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 27.5 mp0 -67.42 -36.61 81.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.975 . . . . 0.0 109.333 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.44 -46.56 88.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.0 109.276 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.16 -40.11 92.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.988 . . . . 0.0 109.616 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -63.83 -39.82 95.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 0.0 110.616 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.98 -49.19 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.81 -1.181 . . . . 0.0 109.17 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.41 -38.39 77.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.159 -0.963 . . . . 0.0 109.438 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.41 69.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.519 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -59.9 -39.84 86.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.59 -13.8 52.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.34 81.44 7.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.954 -1.321 . . . . 0.0 109.577 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m 53.94 25.55 5.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.646 -0.658 . . . . 0.0 110.719 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.267 -0.896 . . . . 0.0 109.388 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.655 0.741 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -159.39 169.35 24.15 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.24 129.63 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.247 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CD2' ' OD1' ' A' ' 61' ' ' ASP . 61.0 m95 -140.38 123.99 17.12 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -132.31 145.83 51.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.271 -0.893 . . . . 0.0 110.176 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 160.0 83.92 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.02 -28.6 34.99 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.499 2.133 . . . . 0.0 111.906 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 19.8 pt20 -60.88 -42.0 97.09 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 78.1 mm-40 -63.66 -42.56 98.06 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.5 mt -70.07 -40.15 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.804 . . . . 0.0 108.849 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 23' ' ' MET . 13.8 tmm? -50.34 -25.41 3.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 110.24 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -4.72 47.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.07 129.65 35.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.131 -0.981 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.74 -39.99 93.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.213 -0.929 . . . . 0.0 110.23 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.32 -15.23 22.62 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.504 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 26.2 mtt -129.87 78.85 74.35 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.589 -0.948 . . . . 0.0 108.614 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -82.74 170.32 12.81 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 123.181 2.588 . . . . 0.0 113.213 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.83 166.23 23.33 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 107.6 -2.2 . . . . 0.0 107.6 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 p -69.99 -167.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.724 -1.456 . . . . 0.0 108.593 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.9 t -57.41 -50.02 78.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.089 -1.045 . . . . 0.0 108.922 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.65 77.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.913 -1.117 . . . . 0.0 108.964 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.92 45.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.79 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.903 -1.351 . . . . 0.0 108.564 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 32.9 m80 -59.97 -33.38 71.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.64 -48.71 80.61 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -60.06 -46.68 88.76 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLN . . . -76.57 1.71 16.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.964 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -75.13 -40.0 60.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.101 -0.999 . . . . 0.0 108.853 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.73 -45.5 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 39' ' ' ALA . 94.7 mm-40 -94.28 159.6 15.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.459 -0.776 . . . . 0.0 109.43 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.67 61.87 0.37 Allowed Glycine 0 N--CA 1.501 3.033 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' N ' ' CD1' ' A' ' 44' ' ' TRP . 19.6 m0 -51.8 172.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.999 -1.294 . . . . 0.0 108.891 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 120.94 22.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -129.02 154.87 46.22 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -144.1 130.94 20.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.345 -0.847 . . . . 0.0 110.047 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.44 145.77 25.09 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -152.51 152.93 32.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.06 -1.025 . . . . 0.0 108.695 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' VAL . 52.9 mt-10 -68.07 140.09 56.25 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.159 -0.963 . . . . 0.0 108.458 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.43 97.29 0.01 OUTLIER Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . 53.4 t -60.25 -41.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -1.11 . . . . 0.0 108.011 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.01 -8.76 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.67 44.38 2.7 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -175.08 61.16 0.11 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 55' ' ' GLY . 62.0 tttp 57.64 126.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.674 -0.898 . . . . 0.0 110.77 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.23 118.0 25.08 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.489 -0.757 . . . . 0.0 109.595 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.75 143.08 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -131.34 153.11 49.95 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.182 -0.949 . . . . 0.0 111.521 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.522 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 52.0 m-85 -129.78 146.48 51.53 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD1' ' CD2' ' A' ' 16' ' ' TRP . 95.4 m-20 -100.25 120.63 40.2 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.84 -1.162 . . . . 0.0 111.006 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.09 -28.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 0.0 109.661 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.9 tpp -71.35 -1.7 13.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 109.837 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.3 m -101.86 -22.58 14.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 110.211 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.452 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 3.0 mpp? -79.93 149.82 70.99 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.855 -1.153 . . . . 0.0 108.99 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 71.2 Cg_exo -43.1 169.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 121.691 1.594 . . . . 0.0 111.472 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 p -69.94 -31.57 69.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.097 -1.002 . . . . 0.0 110.791 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -58.96 -48.28 82.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.826 -1.171 . . . . 0.0 110.273 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 39.5 mp0 -67.38 -32.27 73.07 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.772 -1.205 . . . . 0.0 109.084 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -59.87 -43.71 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.885 . . . . 0.0 109.207 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -40.01 87.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.77 -35.36 77.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 110.471 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.43 -50.0 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.815 -1.178 . . . . 0.0 110.3 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.77 -39.01 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.913 -1.117 . . . . 0.0 109.778 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.96 93.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.886 -1.134 . . . . 0.0 109.784 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -60.04 -40.27 88.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.853 -1.154 . . . . 0.0 108.665 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.41 -30.76 71.6 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.82 -27.94 37.8 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 2.5 mm? -85.71 -75.65 0.36 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.302 -1.117 . . . . 0.0 109.291 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.6 p -110.93 125.42 53.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.617 -0.677 . . . . 0.0 109.416 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.299 0.571 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -80.04 160.54 25.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 109.45 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.61 131.57 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -139.98 129.91 24.78 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.31 141.77 50.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.425 -0.797 . . . . 0.0 109.837 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.3 157.47 89.17 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 108.688 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.23 -30.84 53.06 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.23 1.954 . . . . 0.0 112.177 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -59.83 -44.74 93.89 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.61 -40.98 93.86 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.18 -48.28 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.425 -0.797 . . . . 0.0 109.364 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.3 mtp -43.71 -31.19 0.74 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 110.843 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.48 -10.19 59.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.848 -1.157 . . . . 0.0 110.868 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.87 126.31 32.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.676 -1.265 . . . . 0.0 109.461 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.04 -40.01 87.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 109.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -53.71 -30.07 42.61 Favored Glycine 0 N--CA 1.494 2.531 0 C-N-CA 120.307 -0.949 . . . . 0.0 110.733 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -119.74 79.11 23.06 Favored Pre-proline 0 N--CA 1.503 2.196 0 O-C-N 121.28 -1.129 . . . . 0.0 109.202 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.97 163.52 20.41 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.679 2.253 . . . . 0.0 112.82 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.54 160.07 17.22 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -71.87 -163.72 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.905 -1.35 . . . . 0.0 108.995 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.7 -53.58 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.041 -1.037 . . . . 0.0 109.329 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.69 94.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.902 -1.124 . . . . 0.0 109.666 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.23 -43.81 57.2 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.52 -42.49 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.143 -1.21 . . . . 0.0 108.351 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 54.7 m80 -60.12 -38.39 82.91 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 61.9 t80 -59.87 -43.91 94.47 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.559 -0.713 . . . . 0.0 109.653 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 70.4 ttt180 -66.22 -41.34 90.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.687 -1.258 . . . . 0.0 109.491 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.51 3.53 31.89 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.269 -0.894 . . . . 0.0 111.713 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.61 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 48.4 p30 -73.05 -39.83 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.428 -1.42 . . . . 0.0 108.524 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.61 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 51.8 t -69.97 -39.97 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 108.97 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.24 148.36 25.16 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.267 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 63.11 4.01 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.18 153.11 15.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -1.079 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -78.09 122.11 25.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.14 148.8 52.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.701 -0.625 . . . . 0.0 109.915 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -140.32 131.54 26.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -89.88 111.11 22.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.144 -0.972 . . . . 0.0 109.234 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 50' ' ' GLU . 18.3 mtpp -90.29 123.49 34.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.073 -1.017 . . . . 0.0 109.774 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 49' ' ' LYS . 98.7 mt-10 36.37 -156.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 121.084 0.468 . . . . 0.0 110.526 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.93 60.91 0.64 Allowed Glycine 0 N--CA 1.496 2.639 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -57.06 142.37 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.204 -1.174 . . . . 0.0 109.048 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.03 139.04 57.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.22 -55.55 0.75 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 172.84 40.3 0.04 OUTLIER Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' A' ' 55' ' ' GLY . 99.1 mttt 57.45 146.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.889 -0.771 . . . . 0.0 109.842 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.87 135.63 33.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.741 -1.224 . . . . 0.0 109.535 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 140.44 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.473 -0.767 . . . . 0.0 109.827 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 49.4 mp0 -130.6 151.45 51.05 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.472 -0.768 . . . . 0.0 109.754 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.0 m-85 -120.09 143.59 48.06 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 65' ' ' MET . 63.3 t0 -90.77 114.07 26.35 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.97 -1.081 . . . . 0.0 108.947 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.05 -31.6 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.038 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.1 mtp -72.32 3.86 4.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.943 . . . . 0.0 109.898 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 t -101.0 -20.31 15.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.167 -0.958 . . . . 0.0 109.252 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -80.48 149.99 69.49 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.138 -0.976 . . . . 0.0 109.568 179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -39.25 158.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.35 2.033 . . . . 0.0 112.455 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -60.66 -40.13 90.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.101 -0.999 . . . . 0.0 110.691 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.31 -50.08 74.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.603 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 12.6 mp0 -64.45 -36.85 85.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.919 -1.113 . . . . 0.0 108.751 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -58.97 -43.83 91.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.305 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.62 -39.99 95.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.69 -39.98 94.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 110.358 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.9 t -68.62 -43.99 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.721 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 74' ' ' ILE . 81.7 mt -60.08 -40.04 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.866 . . . . 0.0 109.561 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.152 -0.968 . . . . 0.0 108.578 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -64.95 -39.78 94.02 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -0.908 . . . . 0.0 109.106 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.01 -40.14 88.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.098 -1.002 . . . . 0.0 110.007 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.02 -40.57 99.08 Favored Glycine 0 N--CA 1.494 2.511 0 O-C-N 121.219 -0.926 . . . . 0.0 111.287 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 79' ' ' LEU . 4.2 pp -87.86 -2.18 58.45 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.873 -1.369 . . . . 0.0 110.206 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.3 m -84.57 -10.94 56.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.94 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.452 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.2 m -78.67 163.79 25.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.164 -0.96 . . . . 0.0 109.386 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.7 mm -117.5 126.62 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.402 -0.811 . . . . 0.0 109.322 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.452 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 77.4 m95 -144.58 130.18 19.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.087 -1.008 . . . . 0.0 108.287 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -126.86 132.25 51.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.376 -0.827 . . . . 0.0 109.833 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.63 151.34 84.85 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.229 -0.919 . . . . 0.0 110.097 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.04 -31.71 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.593 2.195 . . . . 0.0 113.28 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.94 -40.79 90.18 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.991 -1.068 . . . . 0.0 108.719 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.72 -43.01 73.23 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 109.261 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ALA . 95.1 mt -69.97 -51.32 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.102 -0.999 . . . . 0.0 109.6 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.8 mtp -46.58 -31.21 2.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 110.403 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.99 -7.38 59.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.932 -1.105 . . . . 0.0 109.662 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -82.5 128.14 34.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.027 -1.046 . . . . 0.0 109.85 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -0.797 . . . . 0.0 109.503 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.18 -31.38 59.11 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -122.08 79.5 42.95 Favored Pre-proline 0 N--CA 1.501 2.125 0 O-C-N 121.276 -1.132 . . . . 0.0 109.23 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -84.31 173.7 8.57 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 123.109 2.539 . . . . 0.0 112.568 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.08 166.65 32.88 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 p -70.08 -169.62 0.29 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.142 -1.211 . . . . 0.0 108.808 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -54.61 -45.23 71.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.691 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.91 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.688 -1.257 . . . . 0.0 109.965 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.14 -40.92 84.89 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.5 t -63.83 -41.65 93.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.464 -1.021 . . . . 0.0 108.582 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 40' ' ' ASN . 32.3 m80 -62.66 -28.79 70.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.545 -0.722 . . . . 0.0 109.164 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -58.85 -49.99 75.68 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 38' ' ' ARG . 47.1 mtt-85 -62.79 -39.95 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.822 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.06 -2.55 56.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.429 -0.794 . . . . 0.0 110.498 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' HIS . 21.6 t-20 -76.58 -50.9 12.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.922 -1.111 . . . . 0.0 108.599 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -46.82 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 121.319 0.58 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -79.85 148.42 31.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.4 64.48 4.16 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 26.6 m0 -63.87 152.69 39.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.388 -1.066 . . . . 0.0 109.004 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.14 128.12 34.77 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -132.6 150.21 52.19 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.274 -0.891 . . . . 0.0 110.926 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -149.51 171.61 16.34 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 9.7 ptmm? -146.86 110.3 4.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.763 -1.21 . . . . 0.0 110.727 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.86 167.03 19.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' GLU . 48.1 mp0 -65.3 138.04 57.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.768 -1.207 . . . . 0.0 108.743 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.29 121.27 5.37 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.32 -90.98 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -1.117 . . . . 0.0 108.47 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -95.6 -25.08 16.3 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.978 -1.076 . . . . 0.0 108.111 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.34 175.94 24.04 Favored Glycine 0 N--CA 1.497 2.733 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -81.27 121.21 5.35 Favored Glycine 0 N--CA 1.494 2.505 0 O-C-N 121.217 -1.166 . . . . 0.0 110.358 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 55' ' ' GLY . 52.0 mtmt 54.97 118.69 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.721 -0.87 . . . . 0.0 110.873 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.24 136.62 39.86 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.342 -0.848 . . . . 0.0 108.793 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.4 p -131.21 139.94 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.372 -0.83 . . . . 0.0 109.539 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 55.4 mp0 -133.53 155.69 49.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.482 -0.761 . . . . 0.0 110.059 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.523 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.6 m-85 -119.95 139.91 51.73 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -87.72 110.39 20.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.822 -1.174 . . . . 0.0 108.873 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.16 -15.02 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.205 -0.935 . . . . 0.0 110.696 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 tpt -73.72 -9.25 58.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.307 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -109.23 -9.13 15.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.29 -0.881 . . . . 0.0 110.934 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.609 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.6 mtm -80.01 149.96 70.97 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 120.676 -1.265 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.66 164.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.319 2.012 . . . . 0.0 111.892 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -72.61 -34.87 67.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 110.113 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.59 -46.11 89.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.855 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.7 -39.95 95.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.854 -1.154 . . . . 0.0 108.871 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -59.98 -40.21 88.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.15 -0.969 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.08 87.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.617 -1.302 . . . . 0.0 109.189 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -67.0 -37.6 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.447 -0.783 . . . . 0.0 109.85 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.14 -46.41 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 109.915 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.97 -39.96 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.219 -0.926 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.47 -40.27 82.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.995 -1.065 . . . . 0.0 109.519 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 7.0 t60 -66.76 -40.14 88.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 109.598 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.41 -39.94 89.17 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.501 -1.375 . . . . 0.0 107.951 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.61 -31.63 45.16 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 107.768 -2.133 . . . . 0.0 107.768 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.1 tp -84.29 166.6 17.33 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.7 m -66.36 131.47 46.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.72 -1.238 . . . . 0.0 109.668 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.186 -0.946 . . . . 0.0 109.143 179.762 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -79.47 166.29 22.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.078 -1.014 . . . . 0.0 109.118 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.0 mp -133.87 125.51 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.355 -0.84 . . . . 0.0 110.219 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 42.4 m95 -147.49 129.85 15.73 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.2 m -134.91 148.19 50.01 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.18 -0.95 . . . . 0.0 110.477 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.04 164.04 64.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.65 -26.94 75.76 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.185 1.923 . . . . 0.0 111.434 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.03 -43.29 95.42 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.79 -40.01 79.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.886 . . . . 0.0 108.759 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ALA . 85.2 mt -71.84 -54.69 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.54 -0.725 . . . . 0.0 110.704 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -55.09 -19.94 8.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.683 -1.261 . . . . 0.0 109.712 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -9.96 59.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -83.71 129.32 34.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.739 -0.601 . . . . 0.0 109.653 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 26.7 p-10 -60.76 -25.2 66.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.178 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.57 -32.09 72.57 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmt -119.38 93.31 47.05 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.604 -0.939 . . . . 0.0 109.23 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.86 156.21 23.8 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.958 1.772 . . . . 0.0 111.947 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.28 160.02 16.19 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -74.82 -158.67 0.08 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.926 -1.338 . . . . 0.0 109.889 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 -55.9 20.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.26 93.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.84 -1.162 . . . . 0.0 109.685 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -43.18 54.12 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.161 -1.575 . . . . 0.0 109.161 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.01 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -1.161 . . . . 0.0 108.61 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 54.0 m80 -61.8 -38.58 88.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -54.0 -57.77 9.79 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.306 -0.871 . . . . 0.0 109.763 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.49 -39.85 85.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.846 -1.159 . . . . 0.0 109.433 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.03 35.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.328 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.67 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.893 -1.129 . . . . 0.0 109.735 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.32 -39.97 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 0.0 108.997 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -84.36 152.79 23.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.312 -0.868 . . . . 0.0 109.337 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.79 55.33 2.27 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 41.6 m0 -72.08 149.96 44.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.111 -1.229 . . . . 0.0 109.284 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -76.99 130.68 37.81 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -134.43 157.42 46.5 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.339 -0.851 . . . . 0.0 110.976 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 32.1 ptt180 -143.92 121.43 11.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -83.9 131.11 34.89 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 0.0 111.345 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 50' ' ' GLU . 45.5 mtpt -88.28 94.83 9.96 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' LYS . 79.8 mm-40 54.73 168.04 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 139.79 41.47 Favored Glycine 0 N--CA 1.498 2.815 0 O-C-N 120.793 -1.192 . . . . 0.0 110.896 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.8 t -114.74 127.5 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.355 -1.086 . . . . 0.0 110.032 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -155.21 -48.75 0.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -28.99 0.73 Allowed Glycine 0 N--CA 1.498 2.792 0 N-CA-C 108.277 -1.929 . . . . 0.0 108.277 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -133.14 -156.71 8.18 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HZ2' ' CB ' ' A' ' 50' ' ' GLU . 59.6 mttm 52.1 -179.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.328 . . . . 0.0 108.621 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.1 -169.94 0.92 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.372 -1.455 . . . . 0.0 112.569 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -136.55 160.88 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 96.5 mt-10 -131.21 154.81 48.03 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.083 -1.011 . . . . 0.0 111.017 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 23.7 m-85 -124.72 140.02 53.32 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 30.2 p-10 -96.15 131.1 42.95 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.85 -1.156 . . . . 0.0 110.282 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 16.1 t -69.16 -20.01 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.425 -0.797 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.4 tpt -70.01 -9.91 56.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.507 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.426 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 91.5 p -107.45 -11.54 15.49 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.186 -0.946 . . . . 0.0 109.982 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.599 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 6.9 mtm -78.69 139.11 58.23 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.976 -1.078 . . . . 0.0 109.656 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.56 166.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.79 1.66 . . . . 0.0 112.116 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 p -64.93 -39.18 93.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.176 -0.952 . . . . 0.0 110.973 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.07 -48.54 75.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.811 -1.181 . . . . 0.0 109.606 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 1.3 mp0 -64.86 -38.61 91.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.974 -1.079 . . . . 0.0 108.822 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 62' ' ' VAL . 23.9 ttm-85 -59.33 -42.71 92.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.426 -0.796 . . . . 0.0 109.7 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 108.904 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.85 -32.98 74.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.557 -0.715 . . . . 0.0 110.689 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.671 -1.268 . . . . 0.0 109.278 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.02 -39.74 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.33 88.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.522 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -60.76 -48.85 79.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -0.999 . . . . 0.0 109.533 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.063 -1.023 . . . . 0.0 109.064 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -35.81 68.92 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -80.71 168.97 18.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.899 -1.354 . . . . 0.0 109.271 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.5 t -53.96 134.5 43.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.079 -1.013 . . . . 0.0 110.329 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.301 -1.533 0 O-C-N 121.43 -0.793 . . . . 0.0 109.492 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 m -79.88 166.85 21.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.93 . . . . 0.0 108.929 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -129.94 130.04 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -140.04 135.39 32.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.7 m -129.97 137.63 50.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.289 -0.882 . . . . 0.0 110.106 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -72.36 154.46 91.89 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.44 -34.1 60.0 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.932 1.755 . . . . 0.0 111.926 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.08 -44.99 94.38 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.042 -1.036 . . . . 0.0 108.345 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.06 -40.37 89.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.208 -0.932 . . . . 0.0 108.552 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.12 -47.2 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 108.81 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 89.5 mtp -48.47 -20.33 0.41 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.023 -1.048 . . . . 0.0 109.773 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.77 -10.09 59.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 109.385 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.83 124.17 32.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.386 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 39.2 p-10 -61.01 -38.25 85.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 0.0 109.878 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.512 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -55.8 -21.3 29.22 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mtt -123.82 80.06 56.47 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.291 -1.123 . . . . 0.0 109.33 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.58 167.26 17.14 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.952 2.435 . . . . 0.0 113.134 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.09 27.76 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.9 p -71.14 -168.54 0.3 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.304 -1.115 . . . . 0.0 108.737 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.07 -46.79 84.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 109.894 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.7 87.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.842 -1.161 . . . . 0.0 109.678 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.68 90.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.63 -40.3 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.247 -1.149 . . . . 0.0 108.549 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.552 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 23.9 m80 -62.18 -39.23 91.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.54 -0.725 . . . . 0.0 109.849 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.78 -49.86 75.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.312 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 38' ' ' ARG . 32.2 ttt-85 -60.76 -49.85 75.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.07 -1.019 . . . . 0.0 109.362 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.97 11.04 2.9 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.387 -0.821 . . . . 0.0 110.291 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -73.24 -40.17 64.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.994 . . . . 0.0 109.445 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.34 -46.59 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.548 -0.72 . . . . 0.0 109.66 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -85.92 156.41 20.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.431 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 68.77 0.72 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 29.0 m0 -58.08 158.29 7.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.387 -1.067 . . . . 0.0 109.82 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 m -75.87 120.01 20.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -133.87 148.65 51.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.69 -0.631 . . . . 0.0 110.172 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.83 146.0 30.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.348 -0.845 . . . . 0.0 108.917 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -87.72 115.75 25.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.389 -0.819 . . . . 0.0 110.196 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 51' ' ' GLY . 88.5 tttt -92.6 124.21 36.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.275 -0.891 . . . . 0.0 109.125 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.88 26.45 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 49' ' ' LYS . . . -58.94 -66.15 2.99 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.51 140.02 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -1.149 . . . . 0.0 109.845 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -83.49 129.56 34.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 109.19 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.95 -33.26 2.41 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.25 -30.81 56.46 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 57.89 76.09 0.35 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.379 -1.071 . . . . 0.0 109.022 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.77 144.0 57.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.856 . . . . 0.0 109.498 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.59 154.6 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.763 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -134.13 157.67 45.58 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.552 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.3 m-85 -127.29 144.51 51.03 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -90.72 117.1 29.09 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.905 -1.122 . . . . 0.0 108.758 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' A' ' 64' ' ' SER . 94.2 t -65.18 -28.09 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.01 -1.056 . . . . 0.0 110.259 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.3 mmm -71.32 7.24 1.39 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.076 -1.015 . . . . 0.0 110.265 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 62' ' ' VAL . 39.5 m -114.09 -16.66 12.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.373 -0.83 . . . . 0.0 109.912 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.8 mtm -80.0 146.05 62.63 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.075 -1.015 . . . . 0.0 110.504 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -42.29 161.57 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.18 1.92 . . . . 0.0 112.166 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.423 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 91.2 m -61.07 -39.95 91.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.137 -0.977 . . . . 0.0 110.356 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.86 -47.73 83.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.997 -1.065 . . . . 0.0 110.051 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.5 -41.04 89.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 85.9 mtm180 -60.11 -40.11 88.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.209 -0.932 . . . . 0.0 109.834 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.975 -1.078 . . . . 0.0 109.729 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -34.74 78.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.94 -49.98 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.99 -1.069 . . . . 0.0 109.815 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.3 mp -61.55 -42.22 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.909 -1.119 . . . . 0.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 109.509 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.94 -48.66 80.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.102 -0.999 . . . . 0.0 108.562 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.26 -39.87 88.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.04 -14.73 6.0 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.37 -9.1 59.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.019 -1.283 . . . . 0.0 108.784 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -137.62 -24.6 1.04 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.399 -0.813 . . . . 0.0 109.35 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 109.395 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -80.39 164.98 22.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.12 -0.988 . . . . 0.0 109.478 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 89.5 mt -131.83 130.25 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.463 -0.773 . . . . 0.0 108.915 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 49.2 m95 -141.69 133.95 27.9 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.911 . . . . 0.0 108.942 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.7 m -134.66 148.03 50.27 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.31 -0.869 . . . . 0.0 110.493 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.84 170.01 18.36 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.35 -29.7 16.55 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.903 1.735 . . . . 0.0 111.461 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.07 -46.6 89.02 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.68 -41.06 94.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.437 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 92.7 mt -69.77 -41.97 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.3 mmm -50.03 -20.38 0.94 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.144 -0.972 . . . . 0.0 109.598 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.05 -9.97 59.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.011 -1.056 . . . . 0.0 109.392 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.55 119.09 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.137 -0.977 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' MET . 48.1 t0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.145 -0.972 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.42 -12.88 0.64 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.437 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 3.7 mtt -130.01 82.38 66.48 Favored Pre-proline 0 N--CA 1.503 2.183 0 O-C-N 121.259 -1.142 . . . . 0.0 109.512 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.71 168.07 19.89 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.659 2.239 . . . . 0.0 113.098 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.01 159.42 24.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 p -70.96 -166.97 0.17 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.924 -1.339 . . . . 0.0 108.617 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.7 -49.23 81.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.922 -1.111 . . . . 0.0 108.458 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.85 85.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.952 -1.093 . . . . 0.0 109.391 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.73 -39.91 87.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -63.45 -41.49 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -1.169 . . . . 0.0 108.262 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 33.7 m80 -60.15 -36.84 78.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.54 -0.725 . . . . 0.0 109.631 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.73 -48.27 80.08 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.338 -0.851 . . . . 0.0 109.135 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.74 -45.48 89.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.905 -1.122 . . . . 0.0 108.57 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.65 0.42 12.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.386 -0.821 . . . . 0.0 109.59 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.11 -47.46 28.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.164 -0.96 . . . . 0.0 108.774 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -41.28 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.666 -0.646 . . . . 0.0 109.71 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -79.99 159.37 26.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 0.0 109.741 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.06 62.43 1.05 Allowed Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CZ2' ' SD ' ' A' ' 65' ' ' MET . 14.3 m0 -67.65 147.61 52.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -1.119 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -76.77 122.99 25.53 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -130.26 152.02 50.13 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.502 -0.749 . . . . 0.0 109.92 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.58 ' CB ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -147.09 133.11 19.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.853 . . . . 0.0 109.35 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -94.62 142.01 27.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.599 -0.688 . . . . 0.0 110.832 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -146.59 152.41 38.89 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.287 -0.883 . . . . 0.0 110.27 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 60.03 39.98 19.23 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.879 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.19 73.38 0.26 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 p -75.06 118.27 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.357 -1.084 . . . . 0.0 111.132 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -97.94 -10.71 24.08 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.91 -2.15 0.03 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.05 -114.47 0.33 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 50.16 -138.0 1.02 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.13 -1.217 . . . . 0.0 110.48 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.56 120.2 29.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.707 -1.246 . . . . 0.0 111.747 -177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 t -141.85 137.31 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -135.23 146.02 48.22 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 120.788 -1.195 . . . . 0.0 111.417 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 84.2 m-85 -127.7 139.34 52.76 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -92.49 109.89 21.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.529 -1.357 . . . . 0.0 108.912 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.47 -23.89 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.231 -0.918 . . . . 0.0 110.516 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.1 tpp -70.92 -10.93 60.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 110.629 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.7 t -99.41 -12.85 19.88 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.743 -1.223 . . . . 0.0 109.383 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.539 ' SD ' ' CZ2' ' A' ' 44' ' ' TRP . 20.8 ttp -81.58 130.65 60.73 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.222 -0.923 . . . . 0.0 108.654 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 65' ' ' MET . 28.6 Cg_exo -35.95 157.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.12 1.88 . . . . 0.0 112.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.5 m -62.44 -39.99 95.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 111.912 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -51.19 -59.59 4.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.683 -1.26 . . . . 0.0 110.884 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.3 mp0 -62.92 -37.65 87.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.645 -1.284 . . . . 0.0 110.154 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -59.2 -40.62 86.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.043 -1.036 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -60.02 -40.79 90.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -64.35 -39.4 93.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.976 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.03 -42.76 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.973 -1.08 . . . . 0.0 109.137 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.19 -39.9 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.09 -1.006 . . . . 0.0 109.099 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.0 65.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 108.819 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.27 -36.37 83.88 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.847 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.53 -35.18 61.12 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.94 170.01 13.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.441 -1.035 . . . . 0.0 108.768 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m -59.05 131.7 51.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.068 -1.02 . . . . 0.0 108.706 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.101 -1.0 . . . . 0.0 109.475 -179.624 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 tttm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -159.85 164.54 33.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.131 -0.981 . . . . 0.0 109.128 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 84.1 mt -133.5 134.09 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 60.7 m95 -146.11 131.65 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.216 -0.927 . . . . 0.0 108.845 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -132.73 148.39 52.33 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.406 -0.809 . . . . 0.0 110.329 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -72.48 167.45 32.78 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' N ' ' HG ' ' A' ' 18' ' ' SER . 53.4 Cg_endo -69.09 -24.46 32.7 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.836 1.69 . . . . 0.0 111.411 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.572 ' H ' ' HG ' ' A' ' 18' ' ' SER . 77.7 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.0 -41.7 77.46 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.07 -48.86 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.375 -0.828 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -51.59 -27.5 11.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.169 -0.957 . . . . 0.0 110.651 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.3 -7.03 58.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.685 -1.259 . . . . 0.0 109.234 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.9 124.77 30.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.008 -1.058 . . . . 0.0 109.587 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -62.78 -26.63 68.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.446 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.64 52.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmt -131.54 80.02 67.87 Favored Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.561 -0.964 . . . . 0.0 108.623 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.28 156.1 37.3 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.098 1.866 . . . . 0.0 112.532 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.79 159.18 11.23 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.7 p -70.9 -164.13 0.09 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.906 -1.349 . . . . 0.0 109.148 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.85 -54.91 23.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 108.448 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.93 93.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.51 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.48 -42.37 43.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.61 -42.28 95.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 51.9 m80 -61.0 -36.85 80.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.708 -0.62 . . . . 0.0 109.618 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -59.75 -50.13 75.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 110.33 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.39 -40.07 93.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.973 -1.079 . . . . 0.0 108.811 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.46 -0.93 19.06 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.408 -0.807 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.01 -52.18 10.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.248 -0.908 . . . . 0.0 109.463 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.91 -40.03 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.218 -0.926 . . . . 0.0 109.114 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -76.84 154.77 33.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.187 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.56 63.6 1.61 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 15.1 m0 -69.44 150.9 46.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.157 -1.202 . . . . 0.0 109.211 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 126.01 30.18 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -134.43 150.59 50.86 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.411 -0.806 . . . . 0.0 110.535 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -143.93 133.45 23.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.494 -0.753 . . . . 0.0 109.223 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -89.67 109.55 20.51 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.544 0.688 . . . . 0.0 109.71 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -88.68 109.45 20.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.866 -1.146 . . . . 0.0 109.391 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.92 149.39 34.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.777 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 114.19 0.01 OUTLIER Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.542 ' CG1' ' H ' ' A' ' 55' ' ' GLY . 7.3 p -172.86 33.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.492 -1.004 . . . . 0.0 108.705 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 57.87 19.52 5.81 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.03 -46.59 0.02 OUTLIER Glycine 0 N--CA 1.49 2.284 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.542 ' H ' ' CG1' ' A' ' 52' ' ' VAL . . . 87.21 160.11 34.78 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt 55.05 42.84 30.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.451 -1.029 . . . . 0.0 110.417 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.32 149.41 40.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.105 -0.997 . . . . 0.0 108.938 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.28 133.41 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 109.317 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -132.29 153.67 50.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.459 -0.776 . . . . 0.0 109.443 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 82.6 m-85 -124.12 140.16 53.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 109.34 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.74 111.51 23.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.235 -0.915 . . . . 0.0 109.309 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.51 -19.53 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.405 ' HA ' HH12 ' A' ' 70' ' ' ARG . 96.4 mmm -70.48 -3.58 18.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 109.323 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 p -109.96 -18.64 13.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.434 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 32.1 mtt -79.97 150.1 71.33 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.221 -0.925 . . . . 0.0 109.74 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.72 158.52 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.957 1.771 . . . . 0.0 111.823 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -63.59 -40.12 96.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 109.772 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.83 -42.39 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.931 . . . . 0.0 109.052 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.064 -1.022 . . . . 0.0 108.771 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 70' ' ' ARG . 24.3 ttm-85 -59.92 -44.74 94.12 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.453 0.644 . . . . 0.0 109.426 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.17 -39.98 88.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.689 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -63.06 -39.38 94.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 0.0 109.434 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.36 -45.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 108.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.13 -39.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.423 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.07 68.12 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.937 -1.102 . . . . 0.0 108.127 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -62.97 -41.25 99.49 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.0 -39.02 93.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.17 27.04 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.33 -7.53 59.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.165 -1.197 . . . . 0.0 108.492 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.8 m -101.75 -0.19 34.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.446 -0.784 . . . . 0.0 109.351 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 -179.762 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.427 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.8 m -79.8 164.83 23.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.417 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 19.6 tt -131.14 130.35 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 CA-C-O 121.675 0.75 . . . . 0.0 109.888 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 34.4 m95 -144.99 129.53 17.98 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 m -133.43 143.19 48.71 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.161 -0.962 . . . . 0.0 111.247 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 m -77.92 152.48 79.91 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.02 -33.56 2.28 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.477 2.118 . . . . 0.0 113.4 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.84 -45.86 91.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.804 -1.185 . . . . 0.0 108.123 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.87 -42.46 97.51 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.468 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 22' ' ' ILE . 97.4 mt -68.33 -48.52 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.975 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -51.1 -20.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.87 -1.144 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.26 -10.08 59.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.047 -1.033 . . . . 0.0 109.265 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.12 121.52 28.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -0.926 . . . . 0.0 108.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.21 -39.88 88.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 110.149 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.74 -16.46 23.65 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mtt -125.82 76.81 70.67 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.475 -1.015 . . . . 0.0 108.401 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -84.26 175.66 7.17 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.264 2.643 . . . . 0.0 113.432 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 165.67 38.4 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -71.52 -170.8 0.56 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.086 -1.243 . . . . 0.0 108.386 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.35 -41.11 60.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.91 -1.119 . . . . 0.0 109.521 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.74 86.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.758 -1.214 . . . . 0.0 109.273 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.16 97.72 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.34 -43.31 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.541 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 26.0 m80 -60.81 -33.17 72.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.832 -0.542 . . . . 0.0 109.806 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.136 -0.978 . . . . 0.0 109.482 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -65.46 -40.69 93.49 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.669 -1.212 . . . . 0.0 108.006 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -0.93 19.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.674 -0.641 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -75.24 -52.31 11.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 108.448 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.03 -41.16 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -84.8 152.88 23.33 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.329 -0.857 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.23 70.49 0.29 Allowed Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.523 ' N ' ' CD1' ' A' ' 44' ' ' TRP . 4.3 m0 -67.5 170.79 6.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.954 -1.321 . . . . 0.0 108.08 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.421 ' H ' ' CB ' ' A' ' 64' ' ' SER . 1.3 m -73.61 131.7 41.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -135.85 160.04 39.8 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -144.27 101.36 3.69 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -88.15 141.73 28.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.489 -0.757 . . . . 0.0 110.458 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HB2' ' H ' ' A' ' 57' ' ' ALA . 24.1 mttm -148.84 88.98 1.64 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 50' ' ' GLU . 35.1 mp0 45.34 -161.49 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.48 161.12 35.13 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.551 ' O ' ' CB ' ' A' ' 53' ' ' LYS . 24.8 t -80.94 142.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.154 -1.204 . . . . 0.0 108.982 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 52' ' ' VAL . 50.6 tttp 99.88 149.96 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.9 26.84 73.19 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.896 -1.681 . . . . 0.0 108.896 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.85 178.5 34.92 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 57.67 -173.81 0.08 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.379 -1.071 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.563 ' H ' ' HB2' ' A' ' 49' ' ' LYS . . . -178.63 173.6 1.29 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 122.217 1.008 . . . . 0.0 111.5 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -140.41 122.66 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.18 160.73 39.11 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.854 -1.154 . . . . 0.0 112.508 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.541 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 53.0 m-85 -128.35 143.13 50.97 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -99.76 124.17 44.76 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.856 -1.152 . . . . 0.0 110.036 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.42 ' C ' ' H ' ' A' ' 64' ' ' SER . 79.9 t -68.27 -30.0 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.404 -0.81 . . . . 0.0 111.822 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.1 mmt -70.58 14.27 0.14 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.896 -1.127 . . . . 0.0 111.583 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.421 ' CB ' ' H ' ' A' ' 45' ' ' THR . 18.4 m -117.27 -24.77 7.31 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.245 -0.91 . . . . 0.0 110.029 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 66' ' ' PRO . 9.8 ptp -80.54 151.8 72.08 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.118 -0.989 . . . . 0.0 109.659 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' MET . 11.8 Cg_exo -40.62 167.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.032 1.821 . . . . 0.0 111.788 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -70.0 -29.41 66.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 110.15 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.8 -50.07 73.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.087 -1.008 . . . . 0.0 110.139 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 49.7 mp0 -69.09 -31.83 70.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.913 -1.117 . . . . 0.0 109.477 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.89 -41.45 91.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.122 -0.986 . . . . 0.0 109.243 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -40.03 94.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 109.481 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -59.89 -39.83 86.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.321 -0.862 . . . . 0.0 109.348 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.96 -46.61 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.795 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.14 -40.12 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.13 -0.982 . . . . 0.0 110.381 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.34 93.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.019 -1.051 . . . . 0.0 110.4 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.75 -44.66 95.63 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.83 -1.169 . . . . 0.0 108.415 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.56 -39.93 88.76 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.97 -8.93 31.55 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.584 -1.806 . . . . 0.0 108.584 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -70.09 0.59 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.602 -0.94 . . . . 0.0 108.655 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.651 ' HG ' ' H ' ' A' ' 81' ' ' THR . 80.4 p -78.57 -53.53 7.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.192 -0.942 . . . . 0.0 110.546 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.651 ' H ' ' HG ' ' A' ' 80' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.931 0 O-C-N 121.007 -1.058 . . . . 0.0 109.723 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.436 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.7 m -81.77 167.44 19.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -0.848 . . . . 0.0 109.664 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.9 mp -133.94 131.24 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.344 -0.848 . . . . 0.0 109.157 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 46.6 m95 -146.04 130.92 18.13 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -139.8 151.77 46.01 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.096 -1.003 . . . . 0.0 111.199 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.64 161.25 76.97 Favored Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.57 -25.4 78.69 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.398 2.065 . . . . 0.0 112.341 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.99 -43.95 94.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.574 -1.329 . . . . 0.0 108.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.47 -42.91 97.21 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.8 -48.81 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.425 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 90.4 mtp -47.76 -22.91 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.808 -1.183 . . . . 0.0 110.849 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.525 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -78.76 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.797 -1.189 . . . . 0.0 110.223 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.19 128.73 34.78 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.093 -1.004 . . . . 0.0 109.435 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.75 -39.89 93.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.2 -11.72 10.03 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.6 mtt -129.34 77.2 77.86 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -1.161 . . . . 0.0 108.483 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -84.89 170.33 9.97 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 123.148 2.565 . . . . 0.0 113.792 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.39 163.98 31.91 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -69.83 -167.56 0.15 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.024 -1.28 . . . . 0.0 108.827 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.19 -43.79 72.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.649 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.94 82.04 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.849 -1.157 . . . . 0.0 109.21 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.11 98.02 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.22 -41.6 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.956 -1.32 . . . . 0.0 107.987 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 31.5 m80 -61.71 -31.4 71.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.23 -40.97 83.06 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' O ' ' OE1' ' A' ' 42' ' ' GLN . 13.0 mmm180 -61.85 -44.19 97.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.146 -0.971 . . . . 0.0 109.412 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.8 3.42 25.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.17 -0.956 . . . . 0.0 110.128 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -78.21 -50.19 12.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.023 -1.048 . . . . 0.0 109.448 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.45 -49.0 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.558 -0.714 . . . . 0.0 109.717 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 38' ' ' ARG . 28.1 mp0 -83.19 151.55 25.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.247 -0.908 . . . . 0.0 109.911 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.51 65.37 2.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -59.93 159.69 8.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.303 -1.116 . . . . 0.0 108.846 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.3 m -77.35 118.06 19.45 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -129.64 150.37 50.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.582 -177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -140.45 122.6 15.76 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -87.89 118.03 27.14 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.102 -0.999 . . . . 0.0 109.451 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -89.49 116.58 27.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.229 -0.919 . . . . 0.0 109.915 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 52.4 39.58 27.8 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.99 177.56 3.76 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 5.4 p -166.54 121.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.957 -1.32 . . . . 0.0 110.086 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -143.1 -32.6 0.47 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.265 -0.897 . . . . 0.0 108.851 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.02 5.36 0.08 OUTLIER Glycine 0 N--CA 1.488 2.137 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.51 -153.84 6.7 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt 49.84 -144.2 0.51 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.917 -1.343 . . . . 0.0 108.387 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -171.85 171.92 4.99 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 117.784 -1.566 . . . . 0.0 111.69 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.86 156.31 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -130.99 155.95 45.94 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.107 -0.996 . . . . 0.0 111.222 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.533 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.8 m-85 -127.54 142.39 51.39 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -99.87 115.79 30.44 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.089 -1.007 . . . . 0.0 109.308 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -66.4 -13.13 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.585 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.8 mtp -73.74 -8.26 55.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.863 -1.148 . . . . 0.0 110.655 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -106.34 -18.49 13.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.166 -0.959 . . . . 0.0 109.421 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 mtp -80.28 146.88 63.26 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.407 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.25 170.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.508 1.472 . . . . 0.0 111.467 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.9 p -71.62 -34.15 69.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.442 -0.786 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.39 -49.71 76.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.991 -1.068 . . . . 0.0 110.624 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -65.73 -40.17 91.89 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.681 -1.262 . . . . 0.0 110.271 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.84 -46.35 89.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.962 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.12 -36.34 77.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.64 -39.92 94.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.12 -0.987 . . . . 0.0 111.023 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -68.75 -51.79 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.836 -1.165 . . . . 0.0 110.313 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.437 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.6 mp -59.97 -38.49 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.042 . . . . 0.0 108.635 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.64 92.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.872 . . . . 0.0 109.936 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 5.4 t60 -65.21 -40.02 93.56 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.976 -1.078 . . . . 0.0 109.183 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.59 -39.86 95.08 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.667 -1.27 . . . . 0.0 108.472 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.38 -14.8 62.64 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 tp -88.45 82.23 7.02 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.413 -1.051 . . . . 0.0 108.943 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' THR . 46.8 t 55.0 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.457 -0.777 . . . . 0.0 109.717 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 80' ' ' SER . 31.9 m . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.723 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -79.71 159.99 26.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.199 -0.938 . . . . 0.0 109.605 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.6 mt -130.07 130.16 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -140.28 137.17 33.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.388 -0.82 . . . . 0.0 108.876 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.7 m -136.23 148.89 48.29 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.05 164.0 64.22 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 108.737 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.92 -34.89 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.98 -44.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.004 -1.06 . . . . 0.0 108.855 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -42.1 99.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.0 109.209 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -70.56 -51.12 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 0.0 109.67 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 23' ' ' MET . 6.5 tmm? -49.91 -20.12 0.83 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.14 -5.48 56.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.858 -1.151 . . . . 0.0 108.538 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.65 127.99 33.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.529 -0.732 . . . . 0.0 109.228 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.2 p-10 -60.12 -38.93 84.51 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.328 -0.857 . . . . 0.0 110.177 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -57.33 -14.84 13.63 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.487 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 22.6 mtt -129.25 82.08 68.97 Favored Pre-proline 0 N--CA 1.499 1.989 0 O-C-N 121.372 -1.075 . . . . 0.0 108.897 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.17 166.17 14.51 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.867 2.378 . . . . 0.0 113.165 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.19 162.85 27.52 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 -168.47 0.18 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.792 -1.417 . . . . 0.0 108.256 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.57 -44.36 80.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.09 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.64 85.9 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.978 -1.076 . . . . 0.0 109.562 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.89 91.25 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.0 t -62.25 -41.5 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -1.187 . . . . 0.0 108.169 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.1 m80 -62.6 -39.67 94.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.776 -0.578 . . . . 0.0 110.235 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -55.57 -45.63 77.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.842 -1.161 . . . . 0.0 108.35 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' C ' ' H ' ' A' ' 40' ' ' ASN . 41.6 ttt-85 -62.03 -48.33 80.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.0 109.021 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 3.98 1.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.438 -0.789 . . . . 0.0 110.208 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 38' ' ' ARG . 14.9 t-20 -71.73 -47.49 53.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.21 -43.95 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.602 -0.686 . . . . 0.0 109.635 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -84.88 151.95 23.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.316 -0.865 . . . . 0.0 109.979 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.2 65.85 0.36 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -58.82 150.38 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.034 -1.274 . . . . 0.0 108.712 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -78.63 127.98 32.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 108.244 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -126.24 152.07 46.59 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.47 0.653 . . . . 0.0 109.975 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -140.83 130.6 24.31 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 107.75 19.31 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.136 -0.977 . . . . 0.0 109.52 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -88.73 128.56 35.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.158 -0.964 . . . . 0.0 108.955 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.576 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 7.1 pm0 -77.94 158.49 29.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.176 -0.953 . . . . 0.0 110.158 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.31 -146.43 33.14 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.634 ' CG1' ' H ' ' A' ' 53' ' ' LYS . 32.7 t 59.13 -170.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.626 -0.926 . . . . 0.0 108.839 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.634 ' H ' ' CG1' ' A' ' 52' ' ' VAL . 20.9 tptm -61.93 139.98 58.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.882 -1.136 . . . . 0.0 109.692 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.96 -119.44 4.87 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.15 -4.75 0.03 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.24 67.72 1.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.462 -1.022 . . . . 0.0 108.928 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.15 144.67 53.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 109.691 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -130.43 143.4 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -130.69 159.56 36.87 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 37.8 m-85 -125.75 140.51 52.63 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -79.09 123.11 27.03 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.863 -1.148 . . . . 0.0 109.274 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.12 -36.29 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.72 5.39 2.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 0.0 110.448 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -104.98 -21.94 13.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.261 -0.899 . . . . 0.0 110.107 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptp -80.12 152.21 73.66 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.002 -1.061 . . . . 0.0 108.982 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.39 169.04 0.23 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.123 1.882 . . . . 0.0 111.92 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -68.39 -36.83 79.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.321 -0.862 . . . . 0.0 111.437 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.65 -49.51 76.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.727 -1.233 . . . . 0.0 109.631 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.83 -37.68 84.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.891 -1.131 . . . . 0.0 109.356 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.7 -42.82 89.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.598 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.92 87.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.838 -1.164 . . . . 0.0 108.951 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -64.61 -39.6 94.01 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 109.224 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.45 -48.99 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.199 -0.938 . . . . 0.0 109.151 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.97 81.44 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.054 -1.029 . . . . 0.0 109.159 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -60.29 -50.03 75.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.011 -1.055 . . . . 0.0 109.201 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.45 -29.98 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.058 -1.026 . . . . 0.0 108.986 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -38.28 94.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 pp -87.31 -11.1 50.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.263 . . . . 0.0 110.002 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -95.23 -0.57 52.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.136 -0.977 . . . . 0.0 109.12 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.298 -1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.288 179.541 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -79.48 159.58 26.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.559 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 15' ' ' ILE . 50.8 mm -121.61 132.08 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -142.78 130.37 21.33 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.1 m -136.29 148.25 47.88 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.141 -0.974 . . . . 0.0 110.932 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 158.94 82.94 Favored Pre-proline 0 N--CA 1.497 1.903 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.61 -24.89 64.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.329 2.019 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.21 -44.63 94.99 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -62.33 -42.16 99.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 22' ' ' ILE . 94.1 mt -66.16 -45.9 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.4 mmm -51.2 -20.43 1.56 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.505 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -79.44 -10.29 59.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.827 -1.17 . . . . 0.0 109.622 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.02 122.59 31.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.259 -0.901 . . . . 0.0 109.113 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -60.19 -39.61 87.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -0.929 . . . . 0.0 109.448 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.17 -21.25 3.95 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -121.01 79.16 33.21 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.098 -1.236 . . . . 0.0 109.281 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.92 167.2 22.42 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.879 2.386 . . . . 0.0 113.095 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.52 160.23 23.08 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 p -70.75 -165.39 0.11 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.759 -1.436 . . . . 0.0 108.505 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.48 -48.46 85.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.007 -1.058 . . . . 0.0 109.429 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.34 90.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.808 -1.182 . . . . 0.0 110.335 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.98 91.06 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.36 -39.54 81.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.566 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 27.6 m80 -69.9 -24.7 63.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.694 -0.629 . . . . 0.0 109.867 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -59.82 -52.55 64.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.974 -1.079 . . . . 0.0 109.942 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -69.84 -34.93 74.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.145 -0.972 . . . . 0.0 110.432 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.62 -8.38 56.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 0.0 110.189 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -72.89 -44.19 61.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.147 -0.971 . . . . 0.0 109.659 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.23 -44.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -82.22 151.79 26.69 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.916 . . . . 0.0 109.6 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.64 61.86 3.45 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -58.21 156.25 10.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.162 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.2 m -78.33 114.3 17.1 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -132.36 157.19 45.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.303 -0.873 . . . . 0.0 109.883 -177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -144.78 124.08 13.02 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 108.816 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.1 100.29 13.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.134 -0.979 . . . . 0.0 109.898 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -88.8 134.99 33.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.951 -1.093 . . . . 0.0 109.328 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 65.32 39.11 5.46 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.438 0.637 . . . . 0.0 109.727 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.66 78.59 0.07 OUTLIER Glycine 0 N--CA 1.498 2.787 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 2.2 m -82.65 131.57 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.227 -1.161 . . . . 0.0 111.064 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -110.01 -1.17 17.77 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.53 18.18 0.04 OUTLIER Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.78 -126.99 0.97 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 49.41 -140.1 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.185 -1.185 . . . . 0.0 109.938 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.05 105.96 16.38 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.821 -1.174 . . . . 0.0 110.882 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 p -125.17 132.77 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -129.36 150.62 50.65 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 121.956 0.884 . . . . 0.0 111.455 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 66.2 m-85 -124.2 137.68 54.5 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' SD ' ' A' ' 65' ' ' MET . 59.8 t0 -92.7 110.11 21.54 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.886 -1.133 . . . . 0.0 109.092 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.524 ' C ' ' H ' ' A' ' 64' ' ' SER . 85.1 t -64.38 -33.97 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.181 -0.95 . . . . 0.0 110.641 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.538 ' SD ' ' NH2' ' A' ' 70' ' ' ARG . 80.0 mmm -69.58 14.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.188 . . . . 0.0 110.218 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 62' ' ' VAL . 15.2 t -113.08 -24.55 9.4 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.446 -0.783 . . . . 0.0 109.765 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 65' ' ' MET . 2.2 mpt? -79.91 151.59 73.63 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.014 -1.054 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' MET . 91.2 Cg_exo -40.5 166.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.729 1.619 . . . . 0.0 111.65 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -68.97 -31.8 70.92 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 110.334 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.61 -50.79 72.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.528 -1.358 . . . . 0.0 110.722 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -68.17 -39.86 82.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.601 -1.312 . . . . 0.0 109.99 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.538 ' NH2' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 109.681 -179.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.72 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.76 -37.03 85.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.061 -1.024 . . . . 0.0 110.301 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.46 -48.49 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.922 -1.111 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.49 -40.82 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.987 -1.071 . . . . 0.0 109.235 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.74 81.63 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.129 -0.982 . . . . 0.0 109.512 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 24.3 t60 -60.51 -38.53 84.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.104 -0.997 . . . . 0.0 108.628 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.41 -15.15 43.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.045 . . . . 0.0 108.967 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.71 43.31 1.31 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.53 -5.08 58.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.165 -1.197 . . . . 0.0 109.256 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -172.3 12.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.866 . . . . 0.0 109.034 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.299 -1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.297 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.226 0.536 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 m -79.79 166.78 21.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 108.838 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mm -113.92 129.76 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.386 -0.821 . . . . 0.0 109.033 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -143.42 130.34 20.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.261 -0.899 . . . . 0.0 108.639 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.1 m -130.02 139.8 50.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.414 -0.804 . . . . 0.0 109.662 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.68 176.66 3.18 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 109.003 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -65.81 -30.03 49.94 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.046 1.831 . . . . 0.0 112.65 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.413 ' CD ' ' N ' ' A' ' 20' ' ' GLN . 27.7 mp0 -60.05 -41.54 92.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.989 -1.069 . . . . 0.0 109.559 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -67.63 -40.07 84.65 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.657 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.56 -51.88 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.422 -0.798 . . . . 0.0 110.254 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 70.4 mtm -53.33 -23.3 8.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.563 -1.335 . . . . 0.0 110.226 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.85 59.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.868 -1.145 . . . . 0.0 109.214 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.28 126.98 33.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.215 -0.928 . . . . 0.0 110.05 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -60.91 -36.41 79.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 109.579 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -57.46 -27.02 57.81 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.4 mtt -128.43 81.5 70.46 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.347 -1.09 . . . . 0.0 109.118 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.15 173.92 9.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.96 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.5 162.7 32.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.433 ' C ' ' SD ' ' A' ' 23' ' ' MET . 91.9 p -70.61 -167.38 0.18 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.144 -1.209 . . . . 0.0 108.976 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.61 ' N ' ' SD ' ' A' ' 23' ' ' MET . 66.4 t -56.46 -47.34 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.321 -0.862 . . . . 0.0 109.721 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.62 86.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.701 -1.249 . . . . 0.0 109.46 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.29 93.71 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.54 -40.06 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.287 -1.125 . . . . 0.0 108.211 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 41.7 m80 -64.6 -31.05 72.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.694 -0.629 . . . . 0.0 109.883 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.87 -47.53 85.36 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.0 . . . . 0.0 109.043 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 43.1 ttm180 -63.0 -43.06 99.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.922 -1.111 . . . . 0.0 109.152 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.75 2.65 7.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.845 . . . . 0.0 110.073 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.34 -43.71 55.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.173 -0.954 . . . . 0.0 109.488 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.0 -40.87 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.665 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.0 159.44 14.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.094 -1.004 . . . . 0.0 110.207 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.23 70.6 0.89 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 15.9 m0 -55.8 152.58 9.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.512 -0.993 . . . . 0.0 109.998 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 m -77.02 126.21 30.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -133.77 151.36 51.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.424 -0.797 . . . . 0.0 110.39 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -140.42 139.01 35.17 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -85.59 141.65 29.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.991 -1.068 . . . . 0.0 108.881 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -156.6 112.67 2.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.62 138.54 46.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.989 -1.07 . . . . 0.0 108.628 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.43 -65.91 0.07 OUTLIER Glycine 0 N--CA 1.491 2.315 0 C-N-CA 119.519 -1.324 . . . . 0.0 110.272 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 m -54.09 166.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.982 -1.304 . . . . 0.0 109.248 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.0 -39.95 87.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.212 -0.93 . . . . 0.0 109.681 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.43 98.01 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.39 175.07 43.4 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 55.38 32.33 18.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -1.065 . . . . 0.0 109.473 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.37 140.21 56.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.853 . . . . 0.0 108.843 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -122.08 146.85 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.559 -0.713 . . . . 0.0 110.09 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.33 158.2 38.87 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.9 m-85 -120.78 141.66 50.3 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.66 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -95.76 112.92 24.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.998 -1.064 . . . . 0.0 109.234 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.89 -20.51 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.0 110.037 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.6 mmm -72.03 -1.59 15.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.121 -0.987 . . . . 0.0 109.914 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 m -111.92 -19.17 12.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.395 -0.816 . . . . 0.0 109.676 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 47.9 mtm -80.28 151.72 72.71 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.1 Cg_exo -44.84 172.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.737 1.625 . . . . 0.0 111.682 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 t -72.41 -30.02 64.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.282 -0.886 . . . . 0.0 110.593 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.89 -48.22 82.58 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.772 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 38.8 mp0 -67.08 -35.17 79.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.855 -1.153 . . . . 0.0 109.585 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -59.8 -49.94 75.77 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 110.526 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.8 -33.79 74.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.7 -1.25 . . . . 0.0 110.533 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.38 -35.69 79.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.905 -1.122 . . . . 0.0 109.647 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.46 -48.9 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.024 -1.047 . . . . 0.0 109.566 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.05 -40.44 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.839 -1.163 . . . . 0.0 108.795 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.96 88.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.167 -0.958 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -63.35 -40.04 96.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.87 -35.37 80.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.002 -1.061 . . . . 0.0 108.711 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -58.75 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' GLY . 84.7 mt 40.62 -131.36 0.36 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.477 -1.014 . . . . 0.0 110.319 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.4 t -65.99 -46.06 79.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 0.0 110.225 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.656 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.504 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.8 m -79.92 166.64 21.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.195 -0.94 . . . . 0.0 109.699 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 15' ' ' ILE . 96.4 mt -133.56 128.58 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.569 -0.707 . . . . 0.0 109.409 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.504 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 25.7 m95 -145.31 132.56 20.54 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 m -136.47 151.07 49.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.135 -0.978 . . . . 0.0 110.333 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 10.7 m -73.43 153.57 89.96 Favored Pre-proline 0 N--CA 1.491 1.585 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.13 -34.33 68.11 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.916 1.744 . . . . 0.0 112.238 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -59.97 -39.12 84.55 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.918 -1.114 . . . . 0.0 108.266 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -59.83 -39.44 85.1 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' ALA . 88.9 mt -67.3 -41.77 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 mmt -47.79 -27.43 2.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.678 -1.264 . . . . 0.0 109.814 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.62 -11.82 59.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.797 -1.19 . . . . 0.0 109.319 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -85.82 114.54 22.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.132 -0.98 . . . . 0.0 109.303 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 30.3 p-10 -60.33 -34.27 73.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.49 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -50.01 -26.98 9.34 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mtt -118.94 96.7 50.36 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.309 -1.112 . . . . 0.0 109.193 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -84.59 160.74 12.55 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.644 2.23 . . . . 0.0 113.236 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 159.02 22.63 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -70.84 -168.43 0.27 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.084 -1.245 . . . . 0.0 108.922 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -56.95 -45.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.175 -0.953 . . . . 0.0 109.34 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.88 88.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.024 -1.048 . . . . 0.0 110.288 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.98 93.06 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.5 -41.43 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.311 . . . . 0.0 107.887 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.539 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.5 m80 -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.698 . . . . 0.0 109.557 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -59.92 -50.08 75.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.207 -0.933 . . . . 0.0 109.754 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.602 HH22 HE22 ' A' ' 42' ' ' GLN . 45.3 ttt-85 -66.91 -46.38 75.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 109.422 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.11 71.04 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 111.507 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -64.76 -39.98 94.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.574 -1.329 . . . . 0.0 109.863 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.66 -41.25 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.094 -1.004 . . . . 0.0 109.084 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.602 HE22 HH22 ' A' ' 38' ' ' ARG . 96.0 mt-30 -82.61 157.78 23.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.53 57.17 4.72 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 17.7 m0 -63.67 140.58 58.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.073 -1.251 . . . . 0.0 108.891 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -75.6 123.77 26.08 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 mtpm? -127.98 159.54 34.67 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.582 0.706 . . . . 0.0 110.42 -178.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -145.89 158.21 43.87 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.84 160.03 23.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.121 -0.987 . . . . 0.0 110.342 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 50' ' ' GLU . 80.2 tttt -150.98 118.48 6.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.336 -0.852 . . . . 0.0 109.438 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 49' ' ' LYS . 40.7 mt-10 27.91 -143.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 121.189 0.519 . . . . 0.0 111.299 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.15 117.12 0.75 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' GLY . 23.5 t -104.16 111.02 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.347 -1.09 . . . . 0.0 109.619 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' VAL . 67.6 mmtt 34.18 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.187 0.518 . . . . 0.0 110.842 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -129.6 153.37 19.92 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 93.72 -24.22 27.06 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 55' ' ' GLY . 53.4 tttp 56.81 159.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.513 -0.992 . . . . 0.0 109.206 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.82 137.96 39.43 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.714 -1.241 . . . . 0.0 109.687 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.79 152.93 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 18' ' ' SER . 3.3 tp10 -126.23 145.29 50.45 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.31 -0.869 . . . . 0.0 109.491 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.2 m-85 -117.38 141.04 48.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.533 -0.729 . . . . 0.0 109.116 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 35.5 p-10 -96.06 124.22 39.98 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 0.0 108.964 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.13 -16.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.096 -1.002 . . . . 0.0 110.964 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.15 -9.98 59.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 110.463 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.401 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 90.4 p -104.98 -11.97 16.4 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.946 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.64 146.85 77.39 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.906 -1.121 . . . . 0.0 108.887 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 155.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.029 1.819 . . . . 0.0 112.114 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 110.124 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.89 -47.58 84.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.823 -1.173 . . . . 0.0 109.622 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 92.0 mt-10 -66.32 -39.38 89.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.94 . . . . 0.0 109.083 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -59.03 -40.1 84.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.474 -0.766 . . . . 0.0 109.09 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -61.06 -39.93 91.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.328 -0.857 . . . . 0.0 109.68 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -63.71 -39.82 95.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.323 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.65 -43.85 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.044 -1.035 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.03 -39.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.933 -1.104 . . . . 0.0 109.168 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -59.92 -39.8 86.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.37 -0.831 . . . . 0.0 109.382 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -66.17 -37.44 85.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.312 -0.867 . . . . 0.0 110.586 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -40.01 87.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.539 -1.35 . . . . 0.0 109.813 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 80' ' ' SER . . . -101.34 -20.66 13.02 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.0 mt 53.51 13.52 0.47 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.108 -1.231 . . . . 0.0 109.021 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 78' ' ' GLY . 62.0 m -164.86 -15.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.481 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.504 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 9.9 m -158.89 166.53 31.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 109.582 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.5 mt -131.47 130.09 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.504 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 21.7 m95 -140.06 136.46 33.66 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 m -139.77 147.64 41.1 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.831 -1.168 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 168.42 23.61 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.183 -0.948 . . . . 0.0 110.274 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.23 -28.14 14.24 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.842 2.361 . . . . 0.0 113.51 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.96 -43.39 95.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.838 -1.164 . . . . 0.0 109.181 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.39 -41.41 76.49 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.002 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -69.8 -53.36 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.0 110.125 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.6 mtp -51.28 -24.46 4.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.892 -1.13 . . . . 0.0 109.916 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.29 -9.4 58.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.082 -1.011 . . . . 0.0 109.781 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.81 130.07 35.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.009 -1.057 . . . . 0.0 110.337 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.881 . . . . 0.0 108.905 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.37 -27.18 52.9 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 28' ' ' MET . 1.8 mpt? -127.88 79.58 73.46 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.239 -1.154 . . . . 0.0 109.5 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.44 175.41 5.43 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 123.255 2.637 . . . . 0.0 112.587 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.64 164.92 37.11 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.566 -1.814 . . . . 0.0 108.566 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.5 p -69.0 -172.74 0.42 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.735 -1.45 . . . . 0.0 109.54 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.64 -50.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.033 -1.042 . . . . 0.0 109.959 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' TYR . . . -58.54 -40.09 82.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 109.346 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.47 -46.13 94.94 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.22 -48.99 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 1.2 t60 -65.68 -28.45 69.09 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.703 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ALA . 59.9 t80 -59.85 -51.24 70.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 110.545 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 14.4 ptm180 -67.28 -39.33 86.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.9 -1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -7.95 43.98 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 109.218 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -76.37 -44.44 36.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.154 -0.966 . . . . 0.0 108.869 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.42 -39.82 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -79.73 155.57 27.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.24 -0.912 . . . . 0.0 110.313 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.23 57.7 3.55 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -71.46 148.42 46.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -1.203 . . . . 0.0 109.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.9 m -79.5 128.1 32.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -130.87 154.56 47.95 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.418 0.628 . . . . 0.0 110.214 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' NH1' ' CB ' ' A' ' 47' ' ' ARG . 1.3 ptp180 -146.42 134.08 21.05 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -86.31 156.3 20.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.648 -1.282 . . . . 0.0 110.101 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' HZ3' ' CD ' ' A' ' 59' ' ' GLU . 28.1 mtmt -152.18 153.43 33.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.471 -0.768 . . . . 0.0 109.278 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 52' ' ' VAL . 44.3 mt-10 59.5 25.3 14.09 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 56.4 6.78 1.66 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 50' ' ' GLU . 32.9 m 36.47 24.12 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.721 -0.87 . . . . 0.0 111.692 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 51' ' ' GLY . 86.5 mttt -69.27 -39.79 78.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.023 -1.048 . . . . 0.0 108.222 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.17 -34.23 0.12 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.58 -36.62 93.38 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt 59.46 49.31 8.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.649 -0.913 . . . . 0.0 108.684 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.49 104.56 16.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.076 -1.015 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -131.5 154.03 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.5 ' CD ' ' HZ3' ' A' ' 49' ' ' LYS . 98.9 mt-10 -138.15 156.71 47.48 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.765 -1.209 . . . . 0.0 110.771 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 8.9 m-85 -130.46 136.9 49.47 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 19.1 p-10 -87.47 117.48 26.29 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.649 -1.282 . . . . 0.0 110.871 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.99 -12.09 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.783 -1.198 . . . . 0.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 55.1 ttm -70.02 -17.54 63.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 109.659 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.6 p -102.01 -8.69 21.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.225 -0.922 . . . . 0.0 109.548 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.8 mtt -77.71 149.68 77.96 Favored Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.917 -1.114 . . . . 0.0 108.198 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.66 164.37 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.344 1.362 . . . . 0.0 111.036 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.7 m -59.85 -39.92 86.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.274 -0.891 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.501 ' CB ' ' HZ1' ' A' ' 68' ' ' LYS . 7.5 ttpm? -59.74 -49.18 78.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.21 -0.932 . . . . 0.0 111.71 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 3.7 mp0 -65.44 -50.29 65.96 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.821 -1.174 . . . . 0.0 111.506 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -60.14 -40.12 88.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.618 -1.302 . . . . 0.0 110.925 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.27 -39.88 88.4 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.404 -1.435 . . . . 0.0 108.636 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -69.84 -39.77 76.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.59 -49.33 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.784 -1.197 . . . . 0.0 109.5 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mp -60.56 -40.13 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.039 -1.038 . . . . 0.0 108.691 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.09 87.8 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.109 -0.994 . . . . 0.0 110.095 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.466 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 11.8 t60 -62.29 -40.68 97.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 108.914 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.33 -11.6 48.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.114 -0.992 . . . . 0.0 108.546 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -79.44 -15.93 78.96 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -89.4 19.81 4.23 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.967 -1.314 . . . . 0.0 109.293 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 79' ' ' LEU . 8.5 p 55.02 104.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.414 -0.804 . . . . 0.0 109.941 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.613 -179.786 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.311 0.577 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -159.75 167.06 29.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 109.6 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.9 mt -120.55 133.22 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.688 -0.633 . . . . 0.0 109.641 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -139.73 132.43 28.97 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.4 m -130.04 141.12 50.77 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.994 -1.066 . . . . 0.0 110.885 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.06 163.78 65.94 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.21 -42.02 67.5 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.397 2.065 . . . . 0.0 112.366 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -60.04 -42.55 94.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.828 -1.17 . . . . 0.0 108.554 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.44 -40.65 97.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.71 -47.18 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.799 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.3 mmm -43.42 -30.03 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.062 -1.024 . . . . 0.0 111.292 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.13 -9.97 59.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.71 -1.244 . . . . 0.0 109.607 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.97 121.02 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.01 -39.37 85.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.73 -24.59 1.89 Allowed Glycine 0 N--CA 1.492 2.4 0 O-C-N 121.32 -0.862 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 mmt -119.82 87.38 37.82 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.196 -1.179 . . . . 0.0 109.522 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.48 153.39 20.73 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.854 1.702 . . . . 0.0 111.931 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 162.86 15.12 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 p -74.36 -168.31 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.999 -1.295 . . . . 0.0 109.582 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.26 -50.31 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.439 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.42 87.41 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.271 -0.893 . . . . 0.0 109.055 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.76 -40.35 88.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.604 ' CE1' ' HH ' ' A' ' 60' ' ' TYR . 43.3 m80 -64.29 -40.02 95.1 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.397 -0.814 . . . . 0.0 108.826 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -60.11 -50.07 75.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 0.0 110.422 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -65.7 -51.82 56.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.881 -1.137 . . . . 0.0 109.875 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 -7.54 11.85 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.131 -0.98 . . . . 0.0 110.81 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.13 -40.33 94.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.699 -1.25 . . . . 0.0 109.761 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.8 -39.86 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.104 -0.998 . . . . 0.0 109.455 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.509 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 79.8 mt-30 -77.05 158.98 30.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.408 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.29 53.44 1.82 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.509 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 37.6 m0 -65.02 141.03 58.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -1.216 . . . . 0.0 109.551 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -75.35 131.1 40.02 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -126.57 147.89 49.82 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.766 -0.584 . . . . 0.0 110.016 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -144.47 130.74 19.66 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 109.001 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -89.63 106.91 18.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.185 -0.947 . . . . 0.0 110.285 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -93.32 105.38 17.46 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.986 -1.071 . . . . 0.0 109.249 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -75.55 134.23 40.78 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.028 -1.045 . . . . 0.0 109.79 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.27 30.84 0.08 OUTLIER Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 40.7 t -143.03 94.49 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -1.169 . . . . 0.0 109.838 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 45.95 18.66 0.05 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.335 -0.853 . . . . 0.0 109.417 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . 70.57 18.89 75.95 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.53 0.78 84.6 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 53.92 75.22 0.28 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -1.109 . . . . 0.0 109.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 145.03 48.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.216 -0.928 . . . . 0.0 110.184 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.25 143.32 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.33 158.13 44.58 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.352 -0.842 . . . . 0.0 110.293 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.604 ' HH ' ' CE1' ' A' ' 36' ' ' HIS . 22.6 m-85 -126.21 139.92 52.96 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.8 125.74 32.84 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.689 -1.257 . . . . 0.0 110.069 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.2 t -65.66 -30.12 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.275 -0.891 . . . . 0.0 110.696 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.3 mmm -70.33 -4.91 24.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.92 . . . . 0.0 110.58 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -101.87 -13.1 17.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.227 -0.92 . . . . 0.0 109.2 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 42.9 mtt -76.76 140.88 67.88 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 110.076 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -42.62 160.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.623 1.548 . . . . 0.0 111.461 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.9 m -60.65 -39.95 90.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 110.776 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -53.45 -51.26 63.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.843 -1.16 . . . . 0.0 110.149 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.16 -29.9 68.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.825 -1.172 . . . . 0.0 109.585 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.75 -50.0 75.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.68 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -31.58 72.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 109.467 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.56 -38.63 91.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.45 -45.48 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.313 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.418 HG22 HD11 ' A' ' 74' ' ' ILE . 49.7 mm -61.21 -43.16 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.279 -0.888 . . . . 0.0 108.872 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.369 -0.832 . . . . 0.0 110.431 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.18 -40.99 91.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.025 . . . . 0.0 109.543 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -31.92 69.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.766 . . . . 0.0 109.907 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.06 -43.85 97.85 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.04 169.52 13.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.909 -1.348 . . . . 0.0 109.423 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.7 m -56.72 128.72 37.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.906 -1.121 . . . . 0.0 109.898 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.062 -1.024 . . . . 0.0 109.605 179.917 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -159.72 163.47 34.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.871 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -132.11 134.92 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -139.67 140.52 36.91 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.99 144.86 50.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.351 -0.843 . . . . 0.0 110.734 -179.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -72.95 155.11 90.75 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.9 -23.18 33.2 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.999 1.799 . . . . 0.0 111.978 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.92 -49.67 76.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.101 -0.999 . . . . 0.0 108.817 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.91 -42.71 94.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.26 -53.05 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.312 -0.868 . . . . 0.0 110.411 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' 23' ' ' MET . 11.4 tmm? -52.31 -25.11 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.881 -1.137 . . . . 0.0 109.812 -179.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.76 -9.49 59.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.064 -1.022 . . . . 0.0 108.739 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.65 133.79 35.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.832 . . . . 0.0 109.302 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.01 -40.06 87.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.149 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.34 28.61 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.531 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -124.23 80.74 58.65 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.885 . . . . 0.0 108.706 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -86.52 167.43 8.82 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 123.013 2.476 . . . . 0.0 112.675 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.88 168.27 27.28 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.271 -2.332 . . . . 0.0 107.271 -179.036 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 -168.79 0.12 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.808 -1.407 . . . . 0.0 108.923 -179.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.74 -47.92 87.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.528 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.76 83.4 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.668 -1.27 . . . . 0.0 108.951 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.16 -39.26 49.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.03 -43.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -1.218 . . . . 0.0 108.106 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.1 m80 -60.02 -36.75 77.91 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -58.99 -45.24 91.1 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.193 -0.942 . . . . 0.0 109.134 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -63.63 -43.32 97.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.965 -1.085 . . . . 0.0 108.091 179.155 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.8 0.85 6.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.731 . . . . 0.0 110.946 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 5.0 m120 -72.89 -44.34 61.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.587 -1.321 . . . . 0.0 109.059 179.026 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.04 -47.53 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 109.204 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -80.19 155.23 27.5 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.51 70.13 0.21 Allowed Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -67.88 152.95 44.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.255 -1.144 . . . . 0.0 108.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -77.07 127.47 32.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -125.71 151.87 46.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.784 -0.573 . . . . 0.0 109.624 -178.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -146.15 126.8 14.25 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -85.54 148.62 25.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.946 -1.097 . . . . 0.0 109.156 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -146.26 115.01 6.86 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.18 -0.95 . . . . 0.0 108.979 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -77.41 150.89 34.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 109.51 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.51 -151.66 18.0 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t 56.22 -128.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.398 -1.06 . . . . 0.0 109.633 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -80.68 -8.34 59.61 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.023 -1.048 . . . . 0.0 109.887 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.31 -170.22 35.47 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 69.99 23.53 77.01 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' GLY . 54.6 mttm 58.02 121.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.67 0.748 . . . . 0.0 110.077 -179.523 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.47 148.79 22.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.516 -0.74 . . . . 0.0 109.53 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.04 141.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 50.1 mp0 -130.04 157.72 41.6 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.34 -0.85 . . . . 0.0 110.55 -178.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.0 m-85 -129.31 136.1 49.61 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -86.11 125.11 33.23 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.734 -1.229 . . . . 0.0 109.142 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 64' ' ' SER . 12.1 p -62.39 -30.98 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.071 -1.018 . . . . 0.0 110.776 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mmt -72.03 18.49 0.08 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.045 -1.035 . . . . 0.0 110.277 -179.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 62' ' ' VAL . 67.6 m -113.96 -31.59 6.34 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.434 -0.791 . . . . 0.0 111.195 -179.117 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -81.18 153.44 71.86 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 120.696 -1.253 . . . . 0.0 109.726 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 65' ' ' MET . 80.0 Cg_exo -41.88 171.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 0.0 111.972 178.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -67.89 -25.35 65.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.983 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 110.532 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.9 mp0 -64.02 -38.6 91.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 110.209 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -59.98 -44.59 94.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.933 -1.104 . . . . 0.0 109.875 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.23 -47.03 87.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.52 -39.45 77.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 110.063 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.47 -47.46 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.984 -1.072 . . . . 0.0 109.29 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.11 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.089 -1.007 . . . . 0.0 108.506 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.34 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.209 -0.932 . . . . 0.0 108.653 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.28 -42.36 99.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.1 mm? -63.91 -39.96 95.39 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.047 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.22 -29.2 28.83 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 108.669 -1.772 . . . . 0.0 108.669 179.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 tp -86.86 -73.66 0.46 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.518 -0.989 . . . . 0.0 108.435 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.425 ' HG ' ' N ' ' A' ' 81' ' ' THR . 27.6 t -56.27 168.28 0.55 Allowed 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.425 ' N ' ' HG ' ' A' ' 80' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.473 0 O-C-N 121.2 -0.937 . . . . 0.0 109.438 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.4 m -79.67 163.94 24.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 109.433 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.5 mt -126.65 129.97 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 47' ' ' ARG . 51.3 m95 -141.42 131.33 24.45 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.2 m -139.13 152.94 47.86 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.128 -0.982 . . . . 0.0 110.594 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -72.86 153.62 91.13 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.73 -26.98 84.05 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.064 1.843 . . . . 0.0 111.9 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -60.0 -44.52 94.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.118 -0.988 . . . . 0.0 108.399 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.81 -40.47 96.71 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.352 -0.842 . . . . 0.0 108.908 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.7 mt -69.66 -43.93 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' A' ' 23' ' ' MET . 13.5 tmm? -52.15 -22.29 4.11 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.323 -0.86 . . . . 0.0 109.493 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.24 -5.41 54.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.17 -0.956 . . . . 0.0 109.355 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 128.79 34.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.879 . . . . 0.0 109.773 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -60.1 -39.88 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 108.829 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.12 -16.31 18.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.543 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 6.1 mtt -128.42 79.39 74.22 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.402 -1.058 . . . . 0.0 108.893 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.27 167.55 21.32 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.793 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.87 163.74 22.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 -179.044 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 p -69.78 -167.98 0.17 Allowed 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.715 -1.462 . . . . 0.0 108.503 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -57.06 -49.96 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.543 0 C-N-CA 118.873 -1.131 . . . . 0.0 108.536 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.63 86.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.132 -0.98 . . . . 0.0 109.474 179.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.48 -40.25 31.07 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.37 -40.55 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.301 . . . . 0.0 108.764 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.538 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 30.6 m80 -61.79 -28.85 69.75 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.372 -0.83 . . . . 0.0 109.226 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' C ' ' H ' ' A' ' 40' ' ' ASN . 35.8 mtt-85 -62.87 -40.09 96.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.155 -0.966 . . . . 0.0 108.531 178.246 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.85 0.82 3.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.647 -0.658 . . . . 0.0 109.678 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 38' ' ' ARG . 62.1 t-20 -73.19 -53.33 11.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 109.08 178.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.03 -42.02 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -83.15 149.81 26.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.329 -0.857 . . . . 0.0 109.845 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.5 70.47 0.23 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.632 ' CZ3' ' SD ' ' A' ' 65' ' ' MET . 24.5 m0 -66.95 165.58 15.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -1.14 . . . . 0.0 108.961 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.1 m -74.27 130.05 38.97 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -132.32 150.02 52.24 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.341 -0.849 . . . . 0.0 110.746 -177.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 16' ' ' TRP . 33.7 ptt180 -149.94 -179.99 7.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -145.58 127.42 15.37 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.878 -1.139 . . . . 0.0 110.302 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.31 126.6 36.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.456 -0.778 . . . . 0.0 109.487 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -76.68 147.5 37.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.205 -0.934 . . . . 0.0 109.514 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.65 -139.05 14.46 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 t 59.97 80.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.685 -0.891 . . . . 0.0 109.571 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.89 15.69 5.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.45 9.79 6.84 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -94.32 6.35 71.65 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 120.995 -1.297 . . . . 0.0 109.938 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 55' ' ' GLY . 57.6 mttp 57.86 129.99 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.777 -0.837 . . . . 0.0 110.057 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.02 142.85 46.94 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.515 -0.741 . . . . 0.0 110.041 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.63 141.39 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.114 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.95 155.0 47.53 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.293 -0.879 . . . . 0.0 110.632 -179.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.538 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 87.3 m-85 -126.9 136.74 52.72 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.27 115.96 26.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.974 -1.079 . . . . 0.0 109.705 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 t -65.86 -21.24 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.135 -0.978 . . . . 0.0 109.418 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.3 tpp -71.67 -5.1 31.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.485 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.5 t -105.95 -18.73 13.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.632 ' SD ' ' CZ3' ' A' ' 44' ' ' TRP . 42.3 mtm -79.78 148.71 69.49 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.926 -1.109 . . . . 0.0 110.025 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.82 163.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.836 1.691 . . . . 0.0 111.6 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -62.42 -39.87 94.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.955 . . . . 0.0 110.334 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.3 -50.65 69.02 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.132 -0.98 . . . . 0.0 110.537 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -65.47 -39.2 91.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.027 -1.046 . . . . 0.0 109.829 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.59 -44.68 93.29 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.999 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.168 -0.957 . . . . 0.0 110.442 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -68.94 -39.95 79.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.69 -44.86 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.968 -1.083 . . . . 0.0 108.839 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.96 -40.1 82.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.7 -38.83 70.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.903 -1.123 . . . . 0.0 108.941 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -64.79 -34.99 79.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.0 109.032 179.575 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.111 -0.993 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -57.0 -55.42 30.38 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' HB3' ' H ' ' A' ' 80' ' ' SER . 1.3 tt 39.96 -88.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.887 -0.773 . . . . 0.0 110.299 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 78' ' ' GLY . 30.9 t -139.78 13.9 2.5 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.799 -1.188 . . . . 0.0 108.471 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.297 -1.688 0 O-C-N 121.742 -0.599 . . . . 0.0 109.731 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.362 0.601 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -160.01 161.18 33.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -0.845 . . . . 0.0 109.407 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 15' ' ' ILE . 96.6 mt -130.5 129.98 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.499 -0.751 . . . . 0.0 109.353 179.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ2' ' NH2' ' A' ' 47' ' ' ARG . 65.8 m95 -140.24 135.5 32.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -133.14 143.82 49.51 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.162 -0.961 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.92 161.19 78.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.6 -32.83 91.53 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.402 2.068 . . . . 0.0 111.961 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.97 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.57 -49.43 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.529 -0.732 . . . . 0.0 110.329 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 56.1 mtm -52.19 -22.74 4.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.608 -1.307 . . . . 0.0 110.353 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.97 -10.0 59.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.698 -1.251 . . . . 0.0 109.091 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.18 35.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.2 -0.937 . . . . 0.0 109.245 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.7 p-10 -62.05 -24.86 67.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.38 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -66.69 -30.63 76.61 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.0 mpt? -120.74 79.02 30.9 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.434 -1.039 . . . . 0.0 109.259 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -83.05 168.89 13.33 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.767 2.311 . . . . 0.0 112.52 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 167.58 35.11 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -71.31 -171.72 0.64 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.067 -1.255 . . . . 0.0 109.446 -179.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' N ' ' SD ' ' A' ' 23' ' ' MET . 49.0 t -57.52 -45.35 86.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.86 90.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.78 -1.2 . . . . 0.0 110.018 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.2 97.79 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.66 -40.04 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -1.044 . . . . 0.0 108.192 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 25.1 m80 -69.58 -28.46 65.99 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -59.97 -51.21 70.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.986 . . . . 0.0 110.727 -178.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 15.0 ptm180 -70.63 -41.48 72.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.607 -1.308 . . . . 0.0 109.681 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.93 -2.9 19.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.018 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -74.6 -43.02 57.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 0.0 109.204 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.9 -44.97 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.545 -0.722 . . . . 0.0 109.788 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.762 HE21 ' HE1' ' A' ' 44' ' ' TRP . 27.0 mt-30 -80.02 158.29 26.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.94 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.84 68.42 1.75 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.762 ' HE1' HE21 ' A' ' 42' ' ' GLN . 13.5 m0 -62.01 147.97 45.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.406 -1.055 . . . . 0.0 110.267 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -75.74 123.71 26.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.583 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -134.89 151.24 50.71 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.4 -0.813 . . . . 0.0 111.196 -177.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 ptp180 -147.22 140.47 25.32 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.006 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -90.16 103.84 16.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.951 -1.093 . . . . 0.0 109.235 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -85.98 112.68 21.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.214 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -78.63 150.45 32.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.451 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.7 -52.49 0.42 Allowed Glycine 0 N--CA 1.492 2.417 0 C-N-CA 119.647 -1.263 . . . . 0.0 110.097 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.97 134.8 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.085 -1.244 . . . . 0.0 109.45 -179.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 54' ' ' GLY . 63.1 mttp -60.2 130.18 45.41 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 51.88 176.23 0.04 OUTLIER Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 68.32 -41.32 0.29 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.876 -1.289 . . . . 0.0 109.876 179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 54' ' ' GLY . 30.4 tptt 60.35 125.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.472 -1.017 . . . . 0.0 109.567 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.92 133.87 34.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.952 -1.093 . . . . 0.0 109.655 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.42 143.46 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.35 160.0 38.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.538 -0.726 . . . . 0.0 110.086 -179.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 36' ' ' HIS . 52.5 m-85 -123.48 148.63 46.04 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.31 116.5 28.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.068 -1.02 . . . . 0.0 108.97 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.85 -34.07 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.926 . . . . 0.0 110.534 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.0 mtp -68.53 -6.45 25.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.052 -1.03 . . . . 0.0 109.193 -178.515 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.7 p -102.63 -12.42 17.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 54.0 mtt -77.47 142.72 67.29 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -44.98 157.96 0.19 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.731 1.621 . . . . 0.0 112.067 179.062 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.0 m -60.02 -39.89 87.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.137 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 39.8 tttm -53.4 -49.56 67.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.582 -179.115 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.23 -38.68 88.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.985 -1.072 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -58.45 -39.27 79.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 109.659 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.97 -46.08 90.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.981 . . . . 0.0 109.505 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 68' ' ' LYS . 1.9 mp0 -68.36 -39.99 81.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.898 . . . . 0.0 110.513 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.76 -50.92 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.847 -1.158 . . . . 0.0 110.018 -179.095 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.97 -40.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.196 -0.94 . . . . 0.0 109.596 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.97 -39.37 71.69 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -66.71 -37.7 85.23 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.82 -40.33 92.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.075 -1.015 . . . . 0.0 109.569 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -57.76 -64.77 4.06 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER 41.84 -88.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.643 -0.916 . . . . 0.0 110.061 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' GLY . 12.8 m -154.35 -0.36 0.19 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.581 -1.324 . . . . 0.0 109.767 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 109.32 -179.875 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.463 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.2 m -79.26 159.98 27.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.162 -0.961 . . . . 0.0 108.885 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.2 mt -134.39 131.88 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.397 -0.814 . . . . 0.0 109.608 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.9 m95 -145.43 130.03 17.98 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.9 m -128.03 139.93 52.26 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.276 -0.89 . . . . 0.0 110.493 -178.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 175.84 3.68 Favored Pre-proline 0 N--CA 1.492 1.666 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.28 -32.13 42.43 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 121.918 1.745 . . . . 0.0 112.483 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.07 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.951 -1.093 . . . . 0.0 109.348 -179.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.44 -44.89 95.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.174 -0.953 . . . . 0.0 108.738 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -70.02 -51.29 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.58 -0.7 . . . . 0.0 109.648 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 31' ' ' SER . 33.6 mmm -42.92 -30.78 0.43 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 111.621 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.25 -6.98 58.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.799 -1.188 . . . . 0.0 109.636 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 127.27 32.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.089 -1.007 . . . . 0.0 109.945 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -39.34 85.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.359 -0.838 . . . . 0.0 109.483 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.553 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.36 -16.96 16.89 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.498 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -130.02 79.87 72.18 Favored Pre-proline 0 N--CA 1.502 2.128 0 O-C-N 121.084 -1.245 . . . . 0.0 109.126 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.6 164.99 14.16 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.938 2.425 . . . . 0.0 112.693 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.6 166.91 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' SD ' ' A' ' 23' ' ' MET . 24.7 p -71.83 -167.6 0.3 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.001 -1.294 . . . . 0.0 109.328 -179.456 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.81 -48.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.105 -0.997 . . . . 0.0 108.534 -179.338 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.119 -0.988 . . . . 0.0 109.749 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.26 -39.99 93.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.63 -41.41 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.247 -1.149 . . . . 0.0 108.418 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 36.9 m80 -61.54 -38.22 86.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.645 -0.659 . . . . 0.0 109.834 179.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.023 -1.048 . . . . 0.0 109.837 -178.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 63.7 ttt180 -63.2 -49.44 74.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.937 -1.102 . . . . 0.0 109.745 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.97 3.83 3.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.266 -0.897 . . . . 0.0 110.685 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.38 -40.96 73.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.885 -1.134 . . . . 0.0 108.789 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.19 -46.27 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.529 -0.732 . . . . 0.0 109.601 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -74.04 143.14 45.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.672 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.19 55.55 4.76 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -62.36 145.14 54.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 0.0 109.4 179.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.2 m -72.7 129.99 39.5 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -127.48 139.61 52.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.585 -0.697 . . . . 0.0 109.206 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.434 HH11 ' HG3' ' A' ' 47' ' ' ARG . 1.6 ptm180 -140.8 124.71 17.19 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 108.87 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 106.12 18.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.582 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -91.0 99.4 12.45 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.213 -0.929 . . . . 0.0 108.922 178.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 50' ' ' GLU . 57.4 mp0 -80.13 154.24 28.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.86 40.45 25.87 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.974 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.91 -130.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.066 -1.255 . . . . 0.0 109.467 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.1 135.62 56.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.081 -1.012 . . . . 0.0 109.351 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 45.76 -113.53 1.04 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.89 146.96 15.42 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 59.5 45.95 12.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.625 -0.927 . . . . 0.0 109.682 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.09 136.99 58.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.851 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.76 142.69 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.51 -0.744 . . . . 0.0 109.17 -179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -129.28 154.73 46.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.793 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.6 m-85 -122.37 136.43 54.9 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' OD1' ' O ' ' A' ' 61' ' ' ASP . 12.2 p-10 -84.92 117.3 23.84 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.782 -1.199 . . . . 0.0 109.167 179.319 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 t -67.45 -19.88 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.087 -1.008 . . . . 0.0 111.279 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.9 mtp -72.73 3.85 4.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.762 -1.211 . . . . 0.0 110.885 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.0 p -108.1 -18.2 13.84 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.12 -0.987 . . . . 0.0 110.821 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.9 ptp -82.29 149.96 63.04 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.68 -1.263 . . . . 0.0 109.616 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -169.86 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.942 1.762 . . . . 0.0 111.967 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 t -74.04 -38.36 64.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.25 -0.906 . . . . 0.0 112.741 -177.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -55.04 -52.46 63.1 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.401 -1.437 . . . . 0.0 111.035 -177.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 45.8 mp0 -66.58 -37.24 84.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.891 -1.13 . . . . 0.0 110.094 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.72 -41.51 91.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.948 -1.095 . . . . 0.0 109.716 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.057 -1.027 . . . . 0.0 109.739 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -64.65 -40.03 94.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 0.0 109.544 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.46 -51.37 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.971 -1.08 . . . . 0.0 109.491 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.53 -41.82 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.88 -1.137 . . . . 0.0 109.737 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -60.46 -31.93 70.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 110.024 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -64.25 -43.88 93.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.084 -1.01 . . . . 0.0 110.255 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mm? -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.901 -1.124 . . . . 0.0 109.454 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.84 -26.89 57.7 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER 59.52 17.04 5.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.463 -1.022 . . . . 0.0 108.555 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 79' ' ' LEU . 56.5 m -166.71 -15.8 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.443 -0.786 . . . . 0.0 109.558 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.199 -0.938 . . . . 0.0 109.58 -179.852 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.2 m -79.91 164.88 23.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.044 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.4 mt -130.94 130.13 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CH2' ' CZ ' ' A' ' 47' ' ' ARG . 41.7 m95 -140.77 133.16 28.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.189 -0.945 . . . . 0.0 108.645 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.9 m -130.01 140.0 50.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.357 -0.84 . . . . 0.0 109.917 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -74.99 165.52 53.26 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.75 -29.21 79.7 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 121.853 1.702 . . . . 0.0 112.727 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -58.87 -44.97 91.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.94 -1.1 . . . . 0.0 108.279 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 39.7 mp0 -65.23 -40.64 94.32 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.914 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.1 mt -70.47 -53.16 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 110.234 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 61.2 mtm -51.77 -21.6 2.93 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.376 -1.453 . . . . 0.0 109.715 -179.298 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -9.95 59.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.968 -1.083 . . . . 0.0 109.328 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.14 124.93 31.67 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.135 -0.978 . . . . 0.0 109.045 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 26' ' ' ASP . 61.2 t0 -60.17 -40.07 88.66 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.364 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.96 -22.68 35.76 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.7 mtt -120.04 78.97 25.32 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.314 -1.109 . . . . 0.0 109.292 -179.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.22 161.47 23.11 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.753 2.302 . . . . 0.0 112.611 -178.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.7 161.23 22.1 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.454 ' C ' ' SD ' ' A' ' 23' ' ' MET . 77.9 p -72.75 -165.31 0.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.171 -1.194 . . . . 0.0 109.367 -179.598 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' SD ' ' A' ' 23' ' ' MET . 41.9 t -56.71 -48.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.468 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.05 88.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.068 -1.02 . . . . 0.0 109.961 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.17 -45.73 94.88 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.09 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.243 . . . . 0.0 108.528 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 20.2 m80 -68.2 -33.72 74.94 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.04 -51.76 68.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.344 -0.847 . . . . 0.0 110.748 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.97 -37.92 79.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.822 -1.174 . . . . 0.0 109.691 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.12 -10.7 60.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.795 -178.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.38 -39.82 77.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.65 -43.6 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -80.34 159.53 25.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.4 -0.813 . . . . 0.0 109.689 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.73 60.02 4.25 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -69.7 144.83 52.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.183 -1.186 . . . . 0.0 109.705 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 m -78.51 121.5 24.67 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -131.97 144.3 50.72 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.573 ' CZ ' ' CH2' ' A' ' 16' ' ' TRP . 4.2 ptp180 -150.83 150.09 30.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.05 -1.031 . . . . 0.0 109.588 178.327 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -82.5 157.01 23.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.522 -0.736 . . . . 0.0 110.366 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -153.86 100.82 2.4 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -78.57 155.25 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.15 -35.82 2.19 Favored Glycine 0 N--CA 1.501 3.01 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.206 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.9 t -95.16 129.63 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.877 -1.366 . . . . 0.0 109.634 -179.513 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.51 133.23 55.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.899 . . . . 0.0 109.63 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.43 -72.1 0.27 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.05 70.71 0.04 OUTLIER Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 53.05 91.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -1.13 . . . . 0.0 108.625 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.01 157.5 21.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.639 -179.203 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.97 160.07 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -132.33 153.92 50.24 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 53.1 m-85 -123.71 132.49 53.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -93.86 109.23 20.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.877 -1.14 . . . . 0.0 108.843 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -66.21 -11.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.153 -0.967 . . . . 0.0 110.123 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 45.9 ttm -71.56 -9.77 58.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.083 -1.011 . . . . 0.0 108.442 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -103.47 -10.8 18.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 0.0 109.518 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -77.43 154.3 81.71 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.037 -1.039 . . . . 0.0 109.104 179.506 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.52 166.32 24.28 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.76 1.64 . . . . 0.0 110.431 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.7 p -60.18 -39.58 86.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.872 -1.143 . . . . 0.0 110.427 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -55.21 -58.54 7.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.939 -1.1 . . . . 0.0 110.303 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.23 -40.06 82.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.049 -1.032 . . . . 0.0 110.327 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.84 -46.57 88.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.852 -1.155 . . . . 0.0 108.983 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -61.78 -39.9 93.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.552 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.94 -39.84 91.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 109.639 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.65 -49.52 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.98 -1.075 . . . . 0.0 108.793 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 74' ' ' ILE . 96.3 mt -60.11 -39.39 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.816 -1.177 . . . . 0.0 108.656 179.414 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.59 -34.17 57.44 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -61.89 -40.12 94.31 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.04 -39.98 91.87 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.68 98.15 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -89.48 4.03 50.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.132 -1.217 . . . . 0.0 109.814 -179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 t -89.98 -2.46 58.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 109.053 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 -179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.107 -0.701 . . . . 5.2999999999999998 109.107 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.53 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 4.4 m -77.52 141.88 39.37 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.84 -1.171 . . . . 1.0700000000000001 107.84 179.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -110.02 129.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 108.644 -0.873 . . . . 1.9299999999999999 108.644 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.53 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 80.1 m95 -139.07 129.19 25.26 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.482 -0.933 . . . . 0.83999999999999997 108.482 -179.196 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.8 m -131.56 141.38 49.68 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.449 -0.782 . . . . 1.1499999999999999 109.931 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.26 160.37 82.77 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 2.0 108.85 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.38 -26.32 52.58 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.539 2.159 . . . . 0.92000000000000004 111.037 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.03 -52.71 64.21 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.869 -0.789 . . . . 3.21 108.869 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.468 -0.77 . . . . 2.1400000000000001 108.973 -179.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.05 -49.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 C-N-CA 119.592 -0.843 . . . . 1.21 108.785 179.176 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -44.83 -29.68 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.099 -1.0 . . . . 1.9099999999999999 110.337 179.817 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -8.24 57.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.958 -1.089 . . . . 1.3400000000000001 109.731 -178.415 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.1 127.57 33.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.133 -0.979 . . . . 1.1599999999999999 109.493 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.03 -44.07 94.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -0.914 . . . . 2.29 109.944 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -52.08 -16.18 2.96 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.57 -1.012 . . . . 0.73999999999999999 110.57 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mtt -130.03 79.98 71.94 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.289 -1.124 . . . . 1.3 109.865 -179.275 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.15 170.13 12.36 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.96 2.44 . . . . 0.77000000000000002 112.727 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.74 27.79 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.547 -1.821 . . . . 0.76000000000000001 108.547 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' SD ' ' A' ' 23' ' ' MET . 70.7 p -71.8 -169.04 0.41 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.015 -1.285 . . . . 1.1599999999999999 108.885 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.6 -48.72 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.01 -1.056 . . . . 1.47 108.872 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.99 87.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.188 -0.945 . . . . 1.3600000000000001 109.577 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.37 -41.53 71.99 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.04 -1.624 . . . . 0.71999999999999997 109.04 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.84 -43.37 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 1.1899999999999999 108.155 178.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.544 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 34.5 m80 -60.06 -39.78 87.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.552 -0.717 . . . . 1.1699999999999999 109.497 179.632 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -55.14 -45.29 75.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.202 -0.936 . . . . 1.6100000000000001 108.621 -179.613 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 52.7 ttt180 -67.15 -48.76 67.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.495 -0.753 . . . . 3.1800000000000002 110.052 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.22 3.57 3.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 1.3 109.637 -179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -76.68 -46.24 26.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.371 -0.831 . . . . 2.7999999999999998 109.405 179.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.0 -40.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.407 -0.808 . . . . 1.6699999999999999 109.247 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -84.23 150.22 25.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.332 -0.855 . . . . 2.77 109.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.04 61.49 2.61 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.035 -1.626 . . . . 0.90000000000000002 109.035 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.596 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 31.3 m0 -59.32 150.8 25.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -1.133 . . . . 0.83999999999999997 109.284 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -75.58 122.58 24.12 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 106.868 -1.53 . . . . 1.4299999999999999 106.868 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -130.05 155.64 45.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.39 -0.819 . . . . 2.6499999999999999 110.295 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -144.96 134.44 23.18 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.668 -0.864 . . . . 3.0499999999999998 108.668 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -91.34 123.0 34.43 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 3.7599999999999998 110.315 -179.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 119.97 39.99 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.896 -1.149 . . . . 3.5699999999999998 107.896 177.264 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.41 167.02 22.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.957 0.884 . . . . 4.3799999999999999 111.608 -178.774 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 78.66 -18.2 6.03 Favored Glycine 0 N--CA 1.493 2.436 0 CA-C-N 115.996 -0.547 . . . . 3.98 113.307 176.575 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 53' ' ' LYS . 2.8 t -72.5 64.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-N 120.177 1.988 . . . . 4.4299999999999997 108.603 -179.34 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 55' ' ' GLY . 11.5 ttmm 12.89 131.47 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 N-CA-C 116.172 1.916 . . . . 8.5600000000000005 116.172 179.447 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . 15.55 44.76 0.01 OUTLIER Glycine 0 N--CA 1.507 3.423 0 CA-C-N 114.431 -1.259 . . . . 4.3499999999999996 112.841 176.116 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . -160.6 -38.03 0.02 OUTLIER Glycine 0 C--N 1.288 -2.138 0 N-CA-C 106.697 -2.561 . . . . 3.6000000000000001 106.697 179.276 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 55' ' ' GLY . 25.1 mttt 57.92 119.81 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.704 -0.85 . . . . 4.9699999999999998 108.704 179.016 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.77 117.48 18.43 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.042 -1.063 . . . . 1.6699999999999999 110.357 -178.164 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.94 122.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 N-CA-C 102.933 -2.988 . . . . 2.3100000000000001 102.933 176.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.66 151.2 33.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.184 -0.948 . . . . 2.1800000000000002 110.076 -176.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 64.6 m-85 -116.78 138.43 51.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.814 -0.81 . . . . 1.0800000000000001 108.814 -179.064 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.1 115.66 23.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.133 -0.979 . . . . 1.98 108.775 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.81 -20.6 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 1.8999999999999999 109.693 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.08 -2.78 29.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 1.99 110.654 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.3 p -106.78 -15.8 14.64 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.092 -1.005 . . . . 1.8600000000000001 110.047 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 8.7 mtt -79.98 147.89 66.89 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.838 -1.164 . . . . 1.8700000000000001 109.622 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.6 Cg_exo -44.03 170.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.632 1.555 . . . . 1.05 111.345 178.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.81 86.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 2.1200000000000001 109.343 179.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -55.16 -55.3 32.7 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.892 . . . . 3.4199999999999999 111.546 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.703 -1.248 . . . . 2.6200000000000001 109.131 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.97 -44.48 94.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.022 -1.049 . . . . 3.5899999999999999 109.757 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -60.09 -39.87 87.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.559 -1.338 . . . . 2.3199999999999998 108.914 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -60.92 -40.14 92.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.38 -0.825 . . . . 2.8399999999999999 108.813 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.52 -47.18 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 1.23 109.795 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.434 HG23 HD13 ' A' ' 74' ' ' ILE . 48.4 mm -60.01 -42.78 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.023 -1.048 . . . . 1.9399999999999999 108.544 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.495 -0.753 . . . . 1.28 110.503 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -60.18 -40.42 89.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.103 . . . . 1.1200000000000001 109.109 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.64 -40.03 66.72 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.963 -1.125 . . . . 2.1000000000000001 107.963 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.29 -20.61 37.05 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 121.31 -0.869 . . . . 1.5700000000000001 113.699 -177.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -88.76 -33.96 17.28 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.365 2.082 . . . . 2.8399999999999999 112.767 -177.71 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.01 -60.68 1.48 Allowed 'General case' 0 N--CA 1.51 2.563 0 O-C-N 120.235 -1.541 . . . . 4.3399999999999999 110.154 179.779 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.12 -0.987 . . . . 5.2400000000000002 109.415 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.456 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -132.62 129.99 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CE3' ' OD1' ' A' ' 61' ' ' ASP . 29.0 m95 -139.95 130.85 26.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.6 m -130.04 141.63 50.71 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.362 -0.836 . . . . 0.0 110.035 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.01 158.02 86.28 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.897 . . . . 0.0 109.463 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HB2' HG13 ' A' ' 32' ' ' VAL . 18.7 Cg_endo -57.51 -26.89 74.0 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.813 2.342 . . . . 0.0 112.655 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -59.95 -44.43 94.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.987 -1.07 . . . . 0.0 108.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 40.0 mp0 -68.33 -40.1 81.73 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.255 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 82.9 mt -68.9 -54.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.337 -0.852 . . . . 0.0 110.546 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -14.29 46.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.752 -1.218 . . . . 0.0 110.33 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.42 -6.24 57.76 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.15 131.19 35.68 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 108.577 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.2 -24.16 50.23 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.505 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 8.1 mtt -121.8 80.13 40.77 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.539 -0.977 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.85 168.85 17.12 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.814 2.343 . . . . 0.0 112.564 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.24 165.47 28.74 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -70.03 -168.31 0.2 Allowed 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.985 -1.303 . . . . 0.0 108.955 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 19' ' ' PRO . 54.4 t -58.26 -46.59 88.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.187 -0.945 . . . . 0.0 109.294 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.665 -1.272 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.99 -40.2 50.26 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.33 -40.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.209 -1.171 . . . . 0.0 108.162 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.583 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 61.7 m80 -59.97 -33.93 72.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.814 . . . . 0.0 109.092 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.608 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 66.9 t80 -59.54 -47.45 85.47 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 109.227 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 38' ' ' ARG . 53.8 mtt-85 -65.02 -40.4 94.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.752 -1.218 . . . . 0.0 108.884 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.75 1.57 8.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.601 -0.687 . . . . 0.0 110.444 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 1.2 p30 -74.89 -37.69 62.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.946 -1.097 . . . . 0.0 109.176 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.9 -58.09 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.661 -0.65 . . . . 0.0 111.065 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.05 159.73 26.07 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.183 . . . . 0.0 110.607 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.55 69.4 2.51 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD2' ' SD ' ' A' ' 65' ' ' MET . 14.5 m0 -59.69 146.77 40.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.641 -0.917 . . . . 0.0 110.025 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 ' OD2' ' A' ' 61' ' ' ASP . 30.4 m -76.93 121.21 23.13 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -128.47 150.29 50.21 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.756 -0.59 . . . . 0.0 109.543 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.475 -0.766 . . . . 0.0 109.016 179.25 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -133.03 158.23 43.25 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.448 -0.783 . . . . 0.0 110.169 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.9 m-85 -129.41 149.71 51.08 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' CE3' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -95.03 112.04 23.79 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.019 -1.051 . . . . 0.0 109.153 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.45 -24.46 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 110.464 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.8 tpp -70.34 -15.53 62.88 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.198 -0.939 . . . . 0.0 110.258 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.5 p -99.67 -8.53 24.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.881 -1.137 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.482 ' SD ' ' CD2' ' A' ' 44' ' ' TRP . 15.6 mmt -78.58 146.57 69.78 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.083 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -41.55 155.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.677 1.585 . . . . 0.0 111.714 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.0 m -59.98 -39.92 87.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.999 -1.063 . . . . 0.0 109.192 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.34 -42.78 78.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 108.771 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.24 -38.67 91.89 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -58.84 -39.29 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.619 -0.675 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.956 -1.09 . . . . 0.0 109.002 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -62.11 -40.01 94.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.471 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.68 -49.86 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.713 -1.242 . . . . 0.0 109.022 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -60.65 -40.03 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.23 88.79 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.389 -0.819 . . . . 0.0 109.422 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 108.849 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.395 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.88 133.46 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -143.14 136.6 28.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.131 -0.98 . . . . 0.0 109.587 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.87 137.71 49.48 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.262 -0.899 . . . . 0.0 110.637 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 159.87 81.33 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.451 -0.781 . . . . 0.0 109.12 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -54.2 -35.16 81.89 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.189 1.926 . . . . 0.0 111.843 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 12.4 pt20 -60.09 -43.71 95.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.672 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 95.7 mt-10 -62.35 -41.12 98.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.279 -0.888 . . . . 0.0 108.687 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.7 -44.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 31' ' ' SER . 38.7 mmm -48.17 -25.4 1.47 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.326 -0.859 . . . . 0.0 110.147 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 -10.14 59.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.917 -1.115 . . . . 0.0 109.718 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 117.08 24.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.108 -0.995 . . . . 0.0 109.807 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 34.4 p-10 -61.62 -33.13 73.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -54.95 -29.91 52.5 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -119.4 84.29 28.57 Favored Pre-proline 0 N--CA 1.499 2.02 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.62 172.39 11.32 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.815 2.343 . . . . 0.0 112.886 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.61 160.79 24.96 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' SD ' ' A' ' 23' ' ' MET . 55.7 p -71.69 -165.86 0.18 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.029 -1.277 . . . . 0.0 108.968 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.57 -50.14 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.905 -1.122 . . . . 0.0 109.004 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.76 88.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.747 -1.221 . . . . 0.0 108.593 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.17 -41.95 71.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.47 -42.62 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.195 -1.179 . . . . 0.0 107.964 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.578 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 67.0 m80 -60.05 -38.28 82.3 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.654 -0.654 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -57.21 -49.29 76.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.16 -0.963 . . . . 0.0 108.966 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 38' ' ' ARG . 38.9 ttm-85 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.939 -1.1 . . . . 0.0 108.77 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.57 9.58 4.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.384 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -76.19 -51.73 11.52 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.877 -1.139 . . . . 0.0 109.211 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.4 -40.11 77.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.656 -0.653 . . . . 0.0 109.889 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.36 153.89 31.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.725 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.93 63.96 1.47 Allowed Glycine 0 N--CA 1.498 2.777 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -62.19 148.55 44.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -1.143 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -78.75 130.49 35.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.0 mtpm? -133.06 150.24 52.12 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.4 -0.812 . . . . 0.0 110.448 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.734 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.9 mp0 -135.19 159.23 42.19 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.827 -1.171 . . . . 0.0 111.964 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.578 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 86.0 m-85 -129.43 144.6 51.31 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' SD ' ' A' ' 65' ' ' MET . 54.7 t0 -94.99 117.02 29.44 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.841 -1.162 . . . . 0.0 109.23 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.27 -21.96 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.162 -0.961 . . . . 0.0 109.976 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.6 mmt -75.06 1.95 11.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.343 -0.848 . . . . 0.0 111.07 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 p -107.03 -27.62 10.52 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.987 -1.07 . . . . 0.0 110.456 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -82.36 155.15 69.32 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.68 -1.262 . . . . 0.0 108.543 178.744 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 65' ' ' MET . 87.6 Cg_exo -40.88 164.75 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.942 1.761 . . . . 0.0 111.952 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.9 p -70.23 -26.46 63.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.159 -0.963 . . . . 0.0 110.799 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.93 -42.92 95.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.944 -1.098 . . . . 0.0 110.255 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -66.4 -38.91 88.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.805 -1.184 . . . . 0.0 109.941 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -59.44 -42.99 93.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.985 . . . . 0.0 110.585 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.14 -40.01 88.33 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.929 -1.107 . . . . 0.0 108.836 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -66.87 -39.98 87.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.4 t -69.71 -44.62 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.197 -0.94 . . . . 0.0 109.494 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.56 -43.22 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.167 -0.958 . . . . 0.0 109.794 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.65 95.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.709 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -62.31 -42.1 99.08 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.205 -0.934 . . . . 0.0 108.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 109.799 179.578 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.428 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.9 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.382 0.61 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.4 mt -130.16 131.41 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.428 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 57.8 m95 -140.55 130.89 25.15 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -135.16 150.07 50.09 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.163 -0.961 . . . . 0.0 110.89 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 162.67 72.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.314 -0.866 . . . . 0.0 109.17 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.66 -27.86 76.38 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.013 1.809 . . . . 0.0 111.716 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.81 -41.98 92.44 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.848 -1.158 . . . . 0.0 108.088 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.46 -40.41 91.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.48 -46.32 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.166 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.574 ' SD ' HG22 ' A' ' 32' ' ' VAL . 89.5 mtp -47.33 -25.59 1.04 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.892 -1.13 . . . . 0.0 110.188 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.87 -8.17 59.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.975 -1.078 . . . . 0.0 109.305 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.3 118.72 24.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.101 -1.0 . . . . 0.0 109.906 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.03 -39.93 91.68 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -54.05 -16.54 6.3 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 mtt -130.07 79.09 73.62 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.465 -1.021 . . . . 0.0 108.557 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -79.71 170.57 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.74 2.294 . . . . 0.0 112.866 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.37 158.31 25.98 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 p -70.86 -166.24 0.14 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.027 -1.278 . . . . 0.0 108.711 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.574 HG22 ' SD ' ' A' ' 23' ' ' MET . 49.0 t -55.63 -48.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.82 -1.175 . . . . 0.0 108.927 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.13 84.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.074 -1.017 . . . . 0.0 109.553 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.08 94.01 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.09 -42.25 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.865 -1.373 . . . . 0.0 107.872 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.555 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 29.8 m80 -60.65 -31.04 70.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.656 -0.652 . . . . 0.0 109.811 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -59.71 -49.64 76.96 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.027 -1.045 . . . . 0.0 108.997 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.545 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 51.5 mtp180 -62.64 -40.84 98.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.91 -1.119 . . . . 0.0 109.574 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.14 40.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.828 . . . . 0.0 109.956 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.69 -48.02 42.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 108.36 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.97 -44.13 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -80.65 157.55 25.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 0.0 110.41 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.11 70.08 0.24 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -65.17 157.17 29.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -1.052 . . . . 0.0 109.633 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -79.56 118.99 21.92 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -129.06 159.9 34.47 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.934 0.873 . . . . 0.0 111.136 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 177.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -127.6 145.0 51.02 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.195 -0.941 . . . . 0.0 110.592 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.555 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.1 m-85 -119.46 140.9 49.7 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.825 -0.547 . . . . 0.0 109.612 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 18.4 p-10 -99.25 125.31 44.84 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.227 -0.92 . . . . 0.0 109.57 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.78 -18.63 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -75.72 8.39 3.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.649 -1.282 . . . . 0.0 111.07 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.8 p -107.02 -24.04 12.12 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.005 -1.059 . . . . 0.0 111.285 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -78.24 159.49 75.19 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 120.462 -1.399 . . . . 0.0 109.232 179.641 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.92 171.11 11.62 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.39 2.06 . . . . 0.0 111.534 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.2 p -60.76 -39.95 90.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.935 -1.103 . . . . 0.0 111.702 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -49.92 73.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 0.0 110.012 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 4.6 mp0 -67.74 -37.56 82.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.024 -1.047 . . . . 0.0 110.153 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -59.41 -39.79 84.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.572 -1.33 . . . . 0.0 109.426 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.26 -40.08 89.09 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.057 -1.027 . . . . 0.0 108.881 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -65.16 -39.59 93.15 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.214 -0.929 . . . . 0.0 108.618 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -70.21 -50.12 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.875 . . . . 0.0 109.52 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.25 -39.94 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.71 77.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.803 . . . . 0.0 109.75 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -63.15 -41.92 99.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 108.917 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--N 1.303 -1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 108.71 179.415 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.478 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.6 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 97.8 mt -132.47 130.55 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 44.9 m95 -141.1 140.1 34.1 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.322 -0.861 . . . . 0.0 108.837 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -130.06 139.05 51.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.296 -0.878 . . . . 0.0 110.312 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -73.04 153.25 90.82 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.476 -0.765 . . . . 0.0 108.997 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' MET . 7.1 Cg_endo -49.21 -34.98 32.69 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.957 1.771 . . . . 0.0 111.571 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.89 -47.29 86.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.03 -43.17 83.48 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.265 -0.897 . . . . 0.0 108.939 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.515 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 85.9 mt -71.38 -53.36 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.423 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PRO . 12.7 tmm? -51.29 -20.96 1.87 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.922 -1.111 . . . . 0.0 110.224 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -5.8 51.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.719 -1.238 . . . . 0.0 108.784 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.45 127.95 33.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.94 -10.23 3.43 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.515 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 5.8 mtt -130.32 81.37 68.45 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.452 -1.028 . . . . 0.0 108.699 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 60.5 Cg_endo -82.37 161.15 17.38 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 123.108 2.539 . . . . 0.0 113.484 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.62 23.49 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.242 -1.943 . . . . 0.0 108.242 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -70.42 -170.06 0.36 Allowed 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.802 -1.411 . . . . 0.0 108.643 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.79 -43.32 87.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.219 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.66 83.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.834 -1.166 . . . . 0.0 109.2 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.42 88.22 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.94 -42.34 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.244 -1.15 . . . . 0.0 108.176 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.463 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.2 m80 -60.71 -34.31 74.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.616 -0.678 . . . . 0.0 109.629 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.25 -52.6 64.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.157 -0.965 . . . . 0.0 110.045 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -70.19 -39.78 75.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.606 -1.309 . . . . 0.0 109.403 178.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.546 -1.346 . . . . 0.0 109.23 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.25 -40.06 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.434 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 95.8 mt-30 -80.05 152.52 29.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.333 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.91 58.31 5.04 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 16.1 m0 -73.2 143.3 47.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -1.159 . . . . 0.0 109.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 128.99 34.51 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -129.11 154.48 46.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.475 -0.766 . . . . 0.0 109.919 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -129.21 155.65 45.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.299 -0.876 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.463 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.1 m-85 -128.73 150.03 50.45 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -93.97 120.76 34.67 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.007 -1.058 . . . . 0.0 109.29 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.23 -33.89 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.935 . . . . 0.0 109.996 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 99.7 mtp -71.68 3.12 4.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.437 -0.789 . . . . 0.0 111.063 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 t -106.95 -26.37 11.22 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.111 -0.993 . . . . 0.0 110.434 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 66' ' ' PRO . 5.6 ptp -81.94 151.75 67.69 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.998 -1.064 . . . . 0.0 109.843 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 62.3 Cg_exo -36.28 160.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.567 2.178 . . . . 0.0 112.486 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.6 m -69.36 -31.73 70.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.471 -0.768 . . . . 0.0 110.208 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.538 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 98.2 mttt -59.84 -42.99 94.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.32 -35.58 81.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.712 -1.243 . . . . 0.0 108.711 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -59.43 -40.02 85.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 0.0 108.958 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.74 -40.68 93.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.036 -1.04 . . . . 0.0 108.383 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.09 -39.92 90.39 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -68.37 -45.46 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 108.496 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.0 -46.94 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 121.681 0.753 . . . . 0.0 109.119 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.44 74.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 109.52 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.08 -40.71 90.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.205 -0.935 . . . . 0.0 110.232 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 77' ' ' LEU . 8.4 mp . . . . . 0 N--CA 1.49 1.546 0 O-C-N 120.917 -1.114 . . . . 0.0 108.989 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.0 m . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -120.2 130.75 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.506 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 75.2 m95 -143.59 131.34 21.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.109 -0.994 . . . . 0.0 109.002 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.4 m -132.1 143.9 50.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.509 -0.745 . . . . 0.0 110.17 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 162.25 75.16 Favored Pre-proline 0 N--CA 1.491 1.588 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.19 -31.63 93.88 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.559 2.173 . . . . 0.0 112.243 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -59.81 -43.22 94.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 109.321 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 mp0 -62.35 -40.27 95.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.102 -0.998 . . . . 0.0 108.407 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.444 HG23 ' SD ' ' A' ' 28' ' ' MET . 95.8 mt -67.3 -47.75 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.663 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 44.7 mtm -53.07 -21.33 4.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.656 -1.277 . . . . 0.0 110.09 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.52 -10.01 59.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.93 124.82 32.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.13 -0.981 . . . . 0.0 109.469 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 25.0 p-10 -60.01 -39.5 86.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -0.846 . . . . 0.0 109.596 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.29 -24.21 44.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 22' ' ' ILE . 3.2 mtt -122.72 79.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.454 -1.027 . . . . 0.0 108.881 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -84.67 173.44 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 123.006 2.471 . . . . 0.0 112.892 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 161.96 34.56 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.6 p -71.07 -167.42 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.04 -1.271 . . . . 0.0 108.648 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' N ' ' SD ' ' A' ' 23' ' ' MET . 55.5 t -56.41 -45.65 81.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 110.274 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.526 -1.359 . . . . 0.0 109.741 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.24 -40.65 92.09 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.28 -43.84 98.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.172 -1.193 . . . . 0.0 107.991 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 24.9 m80 -62.16 -28.49 69.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.655 -0.653 . . . . 0.0 109.616 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.9 -41.89 92.63 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 60.4 mtp180 -64.4 -43.07 95.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.311 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.84 7.74 8.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.422 -0.799 . . . . 0.0 110.225 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -74.68 -51.55 14.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.309 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.98 -41.19 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.739 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -94.8 151.52 19.18 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.243 -0.911 . . . . 0.0 110.063 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.02 65.47 1.95 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -47.21 156.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.387 -1.066 . . . . 0.0 109.888 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -76.31 129.12 36.16 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -138.16 159.58 41.67 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.324 -0.86 . . . . 0.0 110.56 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.508 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.8 mp0 -128.67 158.2 39.21 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.639 0.733 . . . . 0.0 110.037 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 95.0 m-85 -120.51 143.7 48.42 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.32 110.93 22.34 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.033 -1.042 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.87 -30.04 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.112 -0.992 . . . . 0.0 109.535 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.6 ttm -69.65 -7.78 41.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 t -102.8 -14.31 16.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.479 -0.763 . . . . 0.0 108.949 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 mtt -81.08 152.06 70.84 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.398 -0.814 . . . . 0.0 109.832 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.9 168.46 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.637 1.558 . . . . 0.0 111.103 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.6 p -74.04 -31.76 63.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 0.0 111.466 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -57.61 -49.19 77.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.986 -1.071 . . . . 0.0 110.159 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 27.5 mp0 -67.42 -36.61 81.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.975 . . . . 0.0 109.333 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.44 -46.56 88.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.0 109.276 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.16 -40.11 92.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.988 . . . . 0.0 109.616 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -63.83 -39.82 95.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 0.0 110.616 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.98 -49.19 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.81 -1.181 . . . . 0.0 109.17 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.41 -38.39 77.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.159 -0.963 . . . . 0.0 109.438 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.41 69.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.519 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -59.9 -39.84 86.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.631 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.436 ' HB2' ' HE1' ' A' ' 16' ' ' TRP . 5.6 m . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.24 129.63 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.247 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CD2' ' OD1' ' A' ' 61' ' ' ASP . 61.0 m95 -140.38 123.99 17.12 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -132.31 145.83 51.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.271 -0.893 . . . . 0.0 110.176 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 160.0 83.92 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.02 -28.6 34.99 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.499 2.133 . . . . 0.0 111.906 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 19.8 pt20 -60.88 -42.0 97.09 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 78.1 mm-40 -63.66 -42.56 98.06 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.5 mt -70.07 -40.15 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.804 . . . . 0.0 108.849 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 23' ' ' MET . 13.8 tmm? -50.34 -25.41 3.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 110.24 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -4.72 47.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.07 129.65 35.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.131 -0.981 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.74 -39.99 93.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.213 -0.929 . . . . 0.0 110.23 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.32 -15.23 22.62 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.504 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 26.2 mtt -129.87 78.85 74.35 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.589 -0.948 . . . . 0.0 108.614 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -82.74 170.32 12.81 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 123.181 2.588 . . . . 0.0 113.213 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.83 166.23 23.33 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 107.6 -2.2 . . . . 0.0 107.6 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 p -69.99 -167.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.724 -1.456 . . . . 0.0 108.593 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.9 t -57.41 -50.02 78.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.089 -1.045 . . . . 0.0 108.922 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.65 77.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.913 -1.117 . . . . 0.0 108.964 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.92 45.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.79 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.903 -1.351 . . . . 0.0 108.564 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' CD2' ' HH ' ' A' ' 60' ' ' TYR . 32.9 m80 -59.97 -33.38 71.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.64 -48.71 80.61 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -60.06 -46.68 88.76 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLN . . . -76.57 1.71 16.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.964 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -75.13 -40.0 60.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.101 -0.999 . . . . 0.0 108.853 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.73 -45.5 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 39' ' ' ALA . 94.7 mm-40 -94.28 159.6 15.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.459 -0.776 . . . . 0.0 109.43 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.67 61.87 0.37 Allowed Glycine 0 N--CA 1.501 3.033 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 19.6 m0 -51.8 172.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.999 -1.294 . . . . 0.0 108.891 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 120.94 22.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -129.02 154.87 46.22 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.345 -0.847 . . . . 0.0 110.047 179.716 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -131.34 153.11 49.95 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.182 -0.949 . . . . 0.0 111.521 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HH ' ' CD2' ' A' ' 36' ' ' HIS . 52.0 m-85 -129.78 146.48 51.53 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD1' ' CD2' ' A' ' 16' ' ' TRP . 95.4 m-20 -100.25 120.63 40.2 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.84 -1.162 . . . . 0.0 111.006 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.09 -28.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 0.0 109.661 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.9 tpp -71.35 -1.7 13.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 109.837 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.3 m -101.86 -22.58 14.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 110.211 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.452 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 3.0 mpp? -79.93 149.82 70.99 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.855 -1.153 . . . . 0.0 108.99 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 71.2 Cg_exo -43.1 169.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 121.691 1.594 . . . . 0.0 111.472 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 p -69.94 -31.57 69.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.097 -1.002 . . . . 0.0 110.791 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -58.96 -48.28 82.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.826 -1.171 . . . . 0.0 110.273 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 39.5 mp0 -67.38 -32.27 73.07 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.772 -1.205 . . . . 0.0 109.084 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -59.87 -43.71 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.885 . . . . 0.0 109.207 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -40.01 87.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.77 -35.36 77.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 110.471 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.43 -50.0 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.815 -1.178 . . . . 0.0 110.3 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.7 mp -61.77 -39.01 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.913 -1.117 . . . . 0.0 109.778 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.96 93.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.886 -1.134 . . . . 0.0 109.784 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -60.04 -40.27 88.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.853 -1.154 . . . . 0.0 108.665 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.304 -1.376 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.901 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.5 m . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.61 131.57 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.417 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 50.6 m95 -139.98 129.91 24.78 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.31 141.77 50.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.425 -0.797 . . . . 0.0 109.837 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.3 157.47 89.17 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 108.688 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.23 -30.84 53.06 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.23 1.954 . . . . 0.0 112.177 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -59.83 -44.74 93.89 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.61 -40.98 93.86 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.18 -48.28 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.425 -0.797 . . . . 0.0 109.364 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.541 ' SD ' HG22 ' A' ' 32' ' ' VAL . 81.3 mtp -43.71 -31.19 0.74 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 110.843 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.48 -10.19 59.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.848 -1.157 . . . . 0.0 110.868 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.87 126.31 32.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.676 -1.265 . . . . 0.0 109.461 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.04 -40.01 87.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 109.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.409 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -53.71 -30.07 42.61 Favored Glycine 0 N--CA 1.494 2.531 0 C-N-CA 120.307 -0.949 . . . . 0.0 110.733 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -119.74 79.11 23.06 Favored Pre-proline 0 N--CA 1.503 2.196 0 O-C-N 121.28 -1.129 . . . . 0.0 109.202 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.97 163.52 20.41 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.679 2.253 . . . . 0.0 112.82 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.54 160.07 17.22 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -71.87 -163.72 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.905 -1.35 . . . . 0.0 108.995 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG22 ' SD ' ' A' ' 23' ' ' MET . 61.6 t -57.7 -53.58 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.041 -1.037 . . . . 0.0 109.329 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.69 94.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.902 -1.124 . . . . 0.0 109.666 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.23 -43.81 57.2 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.52 -42.49 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.143 -1.21 . . . . 0.0 108.351 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 54.7 m80 -60.12 -38.39 82.91 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 61.9 t80 -59.87 -43.91 94.47 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.559 -0.713 . . . . 0.0 109.653 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 70.4 ttt180 -66.22 -41.34 90.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.687 -1.258 . . . . 0.0 109.491 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.51 3.53 31.89 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.269 -0.894 . . . . 0.0 111.713 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.61 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 48.4 p30 -73.05 -39.83 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.428 -1.42 . . . . 0.0 108.524 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.61 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 51.8 t -69.97 -39.97 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 108.97 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.24 148.36 25.16 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.267 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 63.11 4.01 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.18 153.11 15.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -1.079 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -78.09 122.11 25.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.14 148.8 52.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.701 -0.625 . . . . 0.0 109.915 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.713 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 121.248 0.547 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 49.4 mp0 -130.6 151.45 51.05 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.472 -0.768 . . . . 0.0 109.754 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.0 m-85 -120.09 143.59 48.06 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 65' ' ' MET . 63.3 t0 -90.77 114.07 26.35 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.97 -1.081 . . . . 0.0 108.947 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.05 -31.6 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.038 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.1 mtp -72.32 3.86 4.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.943 . . . . 0.0 109.898 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 t -101.0 -20.31 15.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.167 -0.958 . . . . 0.0 109.252 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -80.48 149.99 69.49 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.138 -0.976 . . . . 0.0 109.568 179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -39.25 158.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.35 2.033 . . . . 0.0 112.455 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -60.66 -40.13 90.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.101 -0.999 . . . . 0.0 110.691 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.31 -50.08 74.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.603 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 12.6 mp0 -64.45 -36.85 85.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.919 -1.113 . . . . 0.0 108.751 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -58.97 -43.83 91.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.305 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.62 -39.99 95.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.69 -39.98 94.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 110.358 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.9 t -68.62 -43.99 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.721 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.08 -40.04 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.866 . . . . 0.0 109.561 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.152 -0.968 . . . . 0.0 108.578 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -64.95 -39.78 94.02 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -0.908 . . . . 0.0 109.106 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.098 -1.002 . . . . 0.0 110.007 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.492 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.2 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.7 mm -117.5 126.62 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.402 -0.811 . . . . 0.0 109.322 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.492 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 77.4 m95 -144.58 130.18 19.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.087 -1.008 . . . . 0.0 108.287 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -126.86 132.25 51.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.376 -0.827 . . . . 0.0 109.833 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.63 151.34 84.85 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.229 -0.919 . . . . 0.0 110.097 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.04 -31.71 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.593 2.195 . . . . 0.0 113.28 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -59.94 -40.79 90.18 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.991 -1.068 . . . . 0.0 108.719 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.72 -43.01 73.23 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 109.261 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.97 -51.32 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.102 -0.999 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.556 ' SD ' HG22 ' A' ' 32' ' ' VAL . 85.8 mtp -46.58 -31.21 2.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 110.403 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.99 -7.38 59.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.932 -1.105 . . . . 0.0 109.662 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.5 128.14 34.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.027 -1.046 . . . . 0.0 109.85 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -0.797 . . . . 0.0 109.503 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.18 -31.38 59.11 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -122.08 79.5 42.95 Favored Pre-proline 0 N--CA 1.501 2.125 0 O-C-N 121.276 -1.132 . . . . 0.0 109.23 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -84.31 173.7 8.57 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 123.109 2.539 . . . . 0.0 112.568 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.08 166.65 32.88 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 p -70.08 -169.62 0.29 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.142 -1.211 . . . . 0.0 108.808 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.556 HG22 ' SD ' ' A' ' 23' ' ' MET . 63.7 t -54.61 -45.23 71.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.691 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.91 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.688 -1.257 . . . . 0.0 109.965 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.14 -40.92 84.89 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.5 t -63.83 -41.65 93.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.464 -1.021 . . . . 0.0 108.582 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 40' ' ' ASN . 32.3 m80 -62.66 -28.79 70.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.545 -0.722 . . . . 0.0 109.164 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -58.85 -49.99 75.68 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 38' ' ' ARG . 47.1 mtt-85 -62.79 -39.95 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.822 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -84.06 -2.55 56.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.429 -0.794 . . . . 0.0 110.498 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' HIS . 21.6 t-20 -76.58 -50.9 12.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.922 -1.111 . . . . 0.0 108.599 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -46.82 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 121.319 0.58 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -79.85 148.42 31.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.4 64.48 4.16 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 26.6 m0 -63.87 152.69 39.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.388 -1.066 . . . . 0.0 109.004 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.14 128.12 34.77 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -132.6 150.21 52.19 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.274 -0.891 . . . . 0.0 110.926 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.643 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.5 2.06 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 55.4 mp0 -133.53 155.69 49.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.482 -0.761 . . . . 0.0 110.059 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.523 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.6 m-85 -119.95 139.91 51.73 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -87.72 110.39 20.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.822 -1.174 . . . . 0.0 108.873 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.16 -15.02 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.205 -0.935 . . . . 0.0 110.696 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 tpt -73.72 -9.25 58.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.307 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -109.23 -9.13 15.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.29 -0.881 . . . . 0.0 110.934 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.609 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.6 mtm -80.01 149.96 70.97 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 120.676 -1.265 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.66 164.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.319 2.012 . . . . 0.0 111.892 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -72.61 -34.87 67.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 110.113 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.59 -46.11 89.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.855 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.7 -39.95 95.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.854 -1.154 . . . . 0.0 108.871 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -59.98 -40.21 88.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.15 -0.969 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.08 87.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.617 -1.302 . . . . 0.0 109.189 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -67.0 -37.6 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.447 -0.783 . . . . 0.0 109.85 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.14 -46.41 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 109.915 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.97 -39.96 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.219 -0.926 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.47 -40.27 82.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.995 -1.065 . . . . 0.0 109.519 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -66.76 -40.14 88.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 109.598 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.489 1.492 0 O-C-N 120.501 -1.375 . . . . 0.0 107.951 179.269 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.44 ' HB3' ' HE1' ' A' ' 16' ' ' TRP . 1.4 m . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.0 mp -133.87 125.51 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.355 -0.84 . . . . 0.0 110.219 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 42.4 m95 -147.49 129.85 15.73 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.2 m -134.91 148.19 50.01 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.18 -0.95 . . . . 0.0 110.477 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.04 164.04 64.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.65 -26.94 75.76 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.185 1.923 . . . . 0.0 111.434 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.03 -43.29 95.42 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.79 -40.01 79.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.886 . . . . 0.0 108.759 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.84 -54.69 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.54 -0.725 . . . . 0.0 110.704 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -55.09 -19.94 8.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.683 -1.261 . . . . 0.0 109.712 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -9.96 59.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 129.32 34.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.739 -0.601 . . . . 0.0 109.653 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 26.7 p-10 -60.76 -25.2 66.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.178 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.57 -32.09 72.57 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmt -119.38 93.31 47.05 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.604 -0.939 . . . . 0.0 109.23 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.86 156.21 23.8 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.958 1.772 . . . . 0.0 111.947 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.28 160.02 16.19 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -74.82 -158.67 0.08 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.926 -1.338 . . . . 0.0 109.889 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 -55.9 20.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.26 93.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.84 -1.162 . . . . 0.0 109.685 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -43.18 54.12 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.161 -1.575 . . . . 0.0 109.161 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.01 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -1.161 . . . . 0.0 108.61 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 54.0 m80 -61.8 -38.58 88.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -54.0 -57.77 9.79 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.306 -0.871 . . . . 0.0 109.763 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.49 -39.85 85.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.846 -1.159 . . . . 0.0 109.433 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.03 35.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.328 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.67 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.893 -1.129 . . . . 0.0 109.735 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.32 -39.97 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 0.0 108.997 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -84.36 152.79 23.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.312 -0.868 . . . . 0.0 109.337 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.79 55.33 2.27 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 41.6 m0 -72.08 149.96 44.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.111 -1.229 . . . . 0.0 109.284 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -76.99 130.68 37.81 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -134.43 157.42 46.5 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.339 -0.851 . . . . 0.0 110.976 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 32.1 ptt180 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 59' ' ' GLU . 6.0 p . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 96.5 mt-10 -131.21 154.81 48.03 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.083 -1.011 . . . . 0.0 111.017 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 23.7 m-85 -124.72 140.02 53.32 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 30.2 p-10 -96.15 131.1 42.95 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.85 -1.156 . . . . 0.0 110.282 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 16.1 t -69.16 -20.01 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.425 -0.797 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.4 tpt -70.01 -9.91 56.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.507 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.406 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 91.5 p -107.45 -11.54 15.49 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.186 -0.946 . . . . 0.0 109.982 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.599 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 6.9 mtm -78.69 139.11 58.23 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.976 -1.078 . . . . 0.0 109.656 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.56 166.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.79 1.66 . . . . 0.0 112.116 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 p -64.93 -39.18 93.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.176 -0.952 . . . . 0.0 110.973 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.07 -48.54 75.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.811 -1.181 . . . . 0.0 109.606 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 1.3 mp0 -64.86 -38.61 91.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.974 -1.079 . . . . 0.0 108.822 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 62' ' ' VAL . 23.9 ttm-85 -59.33 -42.71 92.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.426 -0.796 . . . . 0.0 109.7 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 108.904 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.85 -32.98 74.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.557 -0.715 . . . . 0.0 110.689 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.671 -1.268 . . . . 0.0 109.278 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.02 -39.74 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.33 88.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.522 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -60.76 -48.85 79.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -0.999 . . . . 0.0 109.533 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 77' ' ' LEU . 7.3 mp . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.063 -1.023 . . . . 0.0 109.064 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -129.94 130.04 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -140.04 135.39 32.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.7 m -129.97 137.63 50.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.289 -0.882 . . . . 0.0 110.106 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -72.36 154.46 91.89 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.44 -34.1 60.0 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.932 1.755 . . . . 0.0 111.926 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.08 -44.99 94.38 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.042 -1.036 . . . . 0.0 108.345 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.06 -40.37 89.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.208 -0.932 . . . . 0.0 108.552 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.12 -47.2 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 108.81 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 89.5 mtp -48.47 -20.33 0.41 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.023 -1.048 . . . . 0.0 109.773 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.77 -10.09 59.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 109.385 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.83 124.17 32.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.386 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 39.2 p-10 -61.01 -38.25 85.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 0.0 109.878 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -55.8 -21.3 29.22 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mtt -123.82 80.06 56.47 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.291 -1.123 . . . . 0.0 109.33 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.58 167.26 17.14 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.952 2.435 . . . . 0.0 113.134 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.09 27.76 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.9 p -71.14 -168.54 0.3 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.304 -1.115 . . . . 0.0 108.737 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.07 -46.79 84.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 109.894 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.7 87.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.842 -1.161 . . . . 0.0 109.678 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.68 90.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.63 -40.3 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.247 -1.149 . . . . 0.0 108.549 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.552 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 23.9 m80 -62.18 -39.23 91.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.54 -0.725 . . . . 0.0 109.849 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.78 -49.86 75.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.312 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 38' ' ' ARG . 32.2 ttt-85 -60.76 -49.85 75.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.07 -1.019 . . . . 0.0 109.362 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.97 11.04 2.9 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.387 -0.821 . . . . 0.0 110.291 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -73.24 -40.17 64.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.994 . . . . 0.0 109.445 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.34 -46.59 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.548 -0.72 . . . . 0.0 109.66 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -85.92 156.41 20.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.431 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 68.77 0.72 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 29.0 m0 -58.08 158.29 7.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.387 -1.067 . . . . 0.0 109.82 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 m -75.87 120.01 20.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -133.87 148.65 51.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.69 -0.631 . . . . 0.0 110.172 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.348 -0.845 . . . . 0.0 108.917 178.103 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -134.13 157.67 45.58 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.552 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.3 m-85 -127.29 144.51 51.03 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -90.72 117.1 29.09 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.905 -1.122 . . . . 0.0 108.758 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.18 -28.09 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.01 -1.056 . . . . 0.0 110.259 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.3 mmm -71.32 7.24 1.39 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.076 -1.015 . . . . 0.0 110.265 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.5 m -114.09 -16.66 12.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.373 -0.83 . . . . 0.0 109.912 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.8 mtm -80.0 146.05 62.63 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.075 -1.015 . . . . 0.0 110.504 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -42.29 161.57 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.18 1.92 . . . . 0.0 112.166 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.456 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 91.2 m -61.07 -39.95 91.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.137 -0.977 . . . . 0.0 110.356 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.86 -47.73 83.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.997 -1.065 . . . . 0.0 110.051 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.5 -41.04 89.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 85.9 mtm180 -60.11 -40.11 88.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.209 -0.932 . . . . 0.0 109.834 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.975 -1.078 . . . . 0.0 109.729 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -34.74 78.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.94 -49.98 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.99 -1.069 . . . . 0.0 109.815 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.3 mp -61.55 -42.22 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.909 -1.119 . . . . 0.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 109.509 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -59.94 -48.66 80.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.102 -0.999 . . . . 0.0 108.562 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.249 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.44 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.1 m . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 89.5 mt -131.83 130.25 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.463 -0.773 . . . . 0.0 108.915 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 49.2 m95 -141.69 133.95 27.9 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.911 . . . . 0.0 108.942 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.7 m -134.66 148.03 50.27 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.31 -0.869 . . . . 0.0 110.493 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.84 170.01 18.36 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.35 -29.7 16.55 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.903 1.735 . . . . 0.0 111.461 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.07 -46.6 89.02 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.68 -41.06 94.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.437 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 92.7 mt -69.77 -41.97 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.3 mmm -50.03 -20.38 0.94 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.144 -0.972 . . . . 0.0 109.598 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.05 -9.97 59.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.011 -1.056 . . . . 0.0 109.392 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.55 119.09 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.137 -0.977 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' MET . 48.1 t0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.145 -0.972 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.42 -12.88 0.64 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.437 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 3.7 mtt -130.01 82.38 66.48 Favored Pre-proline 0 N--CA 1.503 2.183 0 O-C-N 121.259 -1.142 . . . . 0.0 109.512 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.71 168.07 19.89 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.659 2.239 . . . . 0.0 113.098 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.01 159.42 24.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 p -70.96 -166.97 0.17 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.924 -1.339 . . . . 0.0 108.617 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.7 -49.23 81.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.922 -1.111 . . . . 0.0 108.458 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.85 85.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.952 -1.093 . . . . 0.0 109.391 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.73 -39.91 87.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -63.45 -41.49 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -1.169 . . . . 0.0 108.262 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 33.7 m80 -60.15 -36.84 78.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.54 -0.725 . . . . 0.0 109.631 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.73 -48.27 80.08 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.338 -0.851 . . . . 0.0 109.135 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.74 -45.48 89.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.905 -1.122 . . . . 0.0 108.57 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.65 0.42 12.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.386 -0.821 . . . . 0.0 109.59 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.11 -47.46 28.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.164 -0.96 . . . . 0.0 108.774 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -41.28 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.666 -0.646 . . . . 0.0 109.71 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -79.99 159.37 26.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 0.0 109.741 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.06 62.43 1.05 Allowed Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CZ2' ' SD ' ' A' ' 65' ' ' MET . 14.3 m0 -67.65 147.61 52.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -1.119 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -76.77 122.99 25.53 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -130.26 152.02 50.13 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.502 -0.749 . . . . 0.0 109.92 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.601 HH11 ' CB ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.853 . . . . 0.0 109.35 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -135.23 146.02 48.22 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 120.788 -1.195 . . . . 0.0 111.417 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 84.2 m-85 -127.7 139.34 52.76 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -92.49 109.89 21.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.529 -1.357 . . . . 0.0 108.912 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.489 HG23 ' CE ' ' A' ' 65' ' ' MET . 9.8 p -67.47 -23.89 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.231 -0.918 . . . . 0.0 110.516 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.1 tpp -70.92 -10.93 60.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 110.629 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.7 t -99.41 -12.85 19.88 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.743 -1.223 . . . . 0.0 109.383 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.539 ' SD ' ' CZ2' ' A' ' 44' ' ' TRP . 20.8 ttp -81.58 130.65 60.73 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.222 -0.923 . . . . 0.0 108.654 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 65' ' ' MET . 28.6 Cg_exo -35.95 157.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.12 1.88 . . . . 0.0 112.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.5 m -62.44 -39.99 95.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 111.912 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -51.19 -59.59 4.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.683 -1.26 . . . . 0.0 110.884 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.3 mp0 -62.92 -37.65 87.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.645 -1.284 . . . . 0.0 110.154 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -59.2 -40.62 86.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.043 -1.036 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -60.02 -40.79 90.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -64.35 -39.4 93.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.976 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.03 -42.76 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.973 -1.08 . . . . 0.0 109.137 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.19 -39.9 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.09 -1.006 . . . . 0.0 109.099 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.0 65.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 108.819 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -64.27 -36.37 83.88 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.847 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.422 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.457 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 84.1 mt -133.5 134.09 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 60.7 m95 -146.11 131.65 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.216 -0.927 . . . . 0.0 108.845 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -132.73 148.39 52.33 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.406 -0.809 . . . . 0.0 110.329 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.48 167.45 32.78 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.09 -24.46 32.7 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.836 1.69 . . . . 0.0 111.411 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.0 -41.7 77.46 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.07 -48.86 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.375 -0.828 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -51.59 -27.5 11.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.169 -0.957 . . . . 0.0 110.651 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.3 -7.03 58.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.685 -1.259 . . . . 0.0 109.234 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.9 124.77 30.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.008 -1.058 . . . . 0.0 109.587 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -62.78 -26.63 68.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.446 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.64 52.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmt -131.54 80.02 67.87 Favored Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.561 -0.964 . . . . 0.0 108.623 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.28 156.1 37.3 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.098 1.866 . . . . 0.0 112.532 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.79 159.18 11.23 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.7 p -70.9 -164.13 0.09 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.906 -1.349 . . . . 0.0 109.148 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.85 -54.91 23.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 108.448 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.93 93.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.51 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.48 -42.37 43.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.61 -42.28 95.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 51.9 m80 -61.0 -36.85 80.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.708 -0.62 . . . . 0.0 109.618 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -59.75 -50.13 75.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 110.33 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.39 -40.07 93.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.973 -1.079 . . . . 0.0 108.811 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.46 -0.93 19.06 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.408 -0.807 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.01 -52.18 10.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.248 -0.908 . . . . 0.0 109.463 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.91 -40.03 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.218 -0.926 . . . . 0.0 109.114 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -76.84 154.77 33.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.187 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.56 63.6 1.61 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 15.1 m0 -69.44 150.9 46.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.157 -1.202 . . . . 0.0 109.211 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 126.01 30.18 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -134.43 150.59 50.86 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.411 -0.806 . . . . 0.0 110.535 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.494 -0.753 . . . . 0.0 109.223 178.618 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -132.29 153.67 50.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.459 -0.776 . . . . 0.0 109.443 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 82.6 m-85 -124.12 140.16 53.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 109.34 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.74 111.51 23.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.235 -0.915 . . . . 0.0 109.309 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.51 -19.53 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.429 ' HA ' HH12 ' A' ' 70' ' ' ARG . 96.4 mmm -70.48 -3.58 18.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 109.323 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 p -109.96 -18.64 13.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.434 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 32.1 mtt -79.97 150.1 71.33 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.221 -0.925 . . . . 0.0 109.74 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.72 158.52 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.957 1.771 . . . . 0.0 111.823 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -63.59 -40.12 96.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 109.772 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.83 -42.39 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.931 . . . . 0.0 109.052 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.064 -1.022 . . . . 0.0 108.771 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.429 HH12 ' HA ' ' A' ' 63' ' ' MET . 24.3 ttm-85 -59.92 -44.74 94.12 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.453 0.644 . . . . 0.0 109.426 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.17 -39.98 88.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.689 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -63.06 -39.38 94.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 0.0 109.434 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.36 -45.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 108.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.13 -39.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.423 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.07 68.12 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.937 -1.102 . . . . 0.0 108.127 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -62.97 -41.25 99.49 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--N 1.307 -1.261 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 178.083 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.8 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 19.6 tt -131.14 130.35 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 CA-C-O 121.675 0.75 . . . . 0.0 109.888 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.472 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.4 m95 -144.99 129.53 17.98 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 m -133.43 143.19 48.71 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.161 -0.962 . . . . 0.0 111.247 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 m -77.92 152.48 79.91 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.02 -33.56 2.28 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.477 2.118 . . . . 0.0 113.4 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.84 -45.86 91.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.804 -1.185 . . . . 0.0 108.123 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.87 -42.46 97.51 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.468 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.33 -48.52 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.975 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -51.1 -20.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.87 -1.144 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.26 -10.08 59.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.047 -1.033 . . . . 0.0 109.265 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.12 121.52 28.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -0.926 . . . . 0.0 108.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.21 -39.88 88.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 110.149 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.74 -16.46 23.65 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mtt -125.82 76.81 70.67 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.475 -1.015 . . . . 0.0 108.401 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -84.26 175.66 7.17 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.264 2.643 . . . . 0.0 113.432 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 165.67 38.4 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -71.52 -170.8 0.56 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.086 -1.243 . . . . 0.0 108.386 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.35 -41.11 60.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.91 -1.119 . . . . 0.0 109.521 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.74 86.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.758 -1.214 . . . . 0.0 109.273 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.16 97.72 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.34 -43.31 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.541 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 26.0 m80 -60.81 -33.17 72.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.832 -0.542 . . . . 0.0 109.806 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.136 -0.978 . . . . 0.0 109.482 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -65.46 -40.69 93.49 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.669 -1.212 . . . . 0.0 108.006 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -0.93 19.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.674 -0.641 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -75.24 -52.31 11.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 108.448 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.03 -41.16 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' CB ' ' HE1' ' A' ' 44' ' ' TRP . 95.9 mm-40 -84.8 152.88 23.33 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.329 -0.857 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.23 70.49 0.29 Allowed Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 4.3 m0 -67.5 170.79 6.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.954 -1.321 . . . . 0.0 108.08 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.462 ' H ' ' CB ' ' A' ' 64' ' ' SER . 1.3 m -73.61 131.7 41.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -135.85 160.04 39.8 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.152 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.18 160.73 39.11 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.854 -1.154 . . . . 0.0 112.508 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.541 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 53.0 m-85 -128.35 143.13 50.97 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -99.76 124.17 44.76 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.856 -1.152 . . . . 0.0 110.036 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.27 -30.0 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.404 -0.81 . . . . 0.0 111.822 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.1 mmt -70.58 14.27 0.14 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.896 -1.127 . . . . 0.0 111.583 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.462 ' CB ' ' H ' ' A' ' 45' ' ' THR . 18.4 m -117.27 -24.77 7.31 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.245 -0.91 . . . . 0.0 110.029 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 66' ' ' PRO . 9.8 ptp -80.54 151.8 72.08 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.118 -0.989 . . . . 0.0 109.659 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' MET . 11.8 Cg_exo -40.62 167.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.032 1.821 . . . . 0.0 111.788 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -70.0 -29.41 66.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 110.15 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.8 -50.07 73.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.087 -1.008 . . . . 0.0 110.139 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 49.7 mp0 -69.09 -31.83 70.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.913 -1.117 . . . . 0.0 109.477 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.89 -41.45 91.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.122 -0.986 . . . . 0.0 109.243 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -40.03 94.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 109.481 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -59.89 -39.83 86.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.321 -0.862 . . . . 0.0 109.348 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.96 -46.61 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.795 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.14 -40.12 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.13 -0.982 . . . . 0.0 110.381 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.34 93.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.019 -1.051 . . . . 0.0 110.4 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.75 -44.66 95.63 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.83 -1.169 . . . . 0.0 108.415 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.21 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.478 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.9 mp -133.94 131.24 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.344 -0.848 . . . . 0.0 109.157 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 46.6 m95 -146.04 130.92 18.13 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -139.8 151.77 46.01 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.096 -1.003 . . . . 0.0 111.199 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.64 161.25 76.97 Favored Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.57 -25.4 78.69 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.398 2.065 . . . . 0.0 112.341 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.99 -43.95 94.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.574 -1.329 . . . . 0.0 108.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.47 -42.91 97.21 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.446 HG23 ' SD ' ' A' ' 28' ' ' MET . 80.6 mt -66.8 -48.81 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.425 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.564 ' SD ' HG22 ' A' ' 32' ' ' VAL . 90.4 mtp -47.76 -22.91 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.808 -1.183 . . . . 0.0 110.849 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.76 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.797 -1.189 . . . . 0.0 110.223 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.19 128.73 34.78 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.093 -1.004 . . . . 0.0 109.435 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.75 -39.89 93.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.2 -11.72 10.03 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.446 ' SD ' HG23 ' A' ' 22' ' ' ILE . 16.6 mtt -129.34 77.2 77.86 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -1.161 . . . . 0.0 108.483 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -84.89 170.33 9.97 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 123.148 2.565 . . . . 0.0 113.792 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.39 163.98 31.91 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -69.83 -167.56 0.15 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.024 -1.28 . . . . 0.0 108.827 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG22 ' SD ' ' A' ' 23' ' ' MET . 60.5 t -55.19 -43.79 72.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.649 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.94 82.04 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.849 -1.157 . . . . 0.0 109.21 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.11 98.02 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.22 -41.6 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.956 -1.32 . . . . 0.0 107.987 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 31.5 m80 -61.71 -31.4 71.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.23 -40.97 83.06 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' O ' ' OE1' ' A' ' 42' ' ' GLN . 13.0 mmm180 -61.85 -44.19 97.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.146 -0.971 . . . . 0.0 109.412 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.8 3.42 25.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.17 -0.956 . . . . 0.0 110.128 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -78.21 -50.19 12.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.023 -1.048 . . . . 0.0 109.448 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.45 -49.0 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.558 -0.714 . . . . 0.0 109.717 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 38' ' ' ARG . 28.1 mp0 -83.19 151.55 25.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.247 -0.908 . . . . 0.0 109.911 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.51 65.37 2.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -59.93 159.69 8.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.303 -1.116 . . . . 0.0 108.846 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.3 m -77.35 118.06 19.45 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -129.64 150.37 50.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.582 -177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.278 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -130.99 155.95 45.94 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.107 -0.996 . . . . 0.0 111.222 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.533 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.8 m-85 -127.54 142.39 51.39 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -99.87 115.79 30.44 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.089 -1.007 . . . . 0.0 109.308 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -66.4 -13.13 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.585 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.8 mtp -73.74 -8.26 55.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.863 -1.148 . . . . 0.0 110.655 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -106.34 -18.49 13.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.166 -0.959 . . . . 0.0 109.421 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 mtp -80.28 146.88 63.26 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.407 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.25 170.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.508 1.472 . . . . 0.0 111.467 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.9 p -71.62 -34.15 69.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.442 -0.786 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.39 -49.71 76.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.991 -1.068 . . . . 0.0 110.624 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -65.73 -40.17 91.89 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.681 -1.262 . . . . 0.0 110.271 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.84 -46.35 89.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.962 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.12 -36.34 77.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.64 -39.92 94.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.12 -0.987 . . . . 0.0 111.023 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -68.75 -51.79 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.836 -1.165 . . . . 0.0 110.313 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.6 mp -59.97 -38.49 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.042 . . . . 0.0 108.635 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.64 92.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.872 . . . . 0.0 109.936 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -65.21 -40.02 93.56 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.976 -1.078 . . . . 0.0 109.183 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.298 -1.667 0 O-C-N 120.667 -1.27 . . . . 0.0 108.472 179.522 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.332 0.587 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.6 mt -130.07 130.16 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -140.28 137.17 33.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.388 -0.82 . . . . 0.0 108.876 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.7 m -136.23 148.89 48.29 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.05 164.0 64.22 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 108.737 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.92 -34.89 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.98 -44.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.004 -1.06 . . . . 0.0 108.855 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -42.1 99.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.0 109.209 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -70.56 -51.12 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 0.0 109.67 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 23' ' ' MET . 6.5 tmm? -49.91 -20.12 0.83 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.14 -5.48 56.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.858 -1.151 . . . . 0.0 108.538 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.65 127.99 33.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.529 -0.732 . . . . 0.0 109.228 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.2 p-10 -60.12 -38.93 84.51 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.328 -0.857 . . . . 0.0 110.177 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -57.33 -14.84 13.63 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.487 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 22.6 mtt -129.25 82.08 68.97 Favored Pre-proline 0 N--CA 1.499 1.989 0 O-C-N 121.372 -1.075 . . . . 0.0 108.897 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.17 166.17 14.51 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.867 2.378 . . . . 0.0 113.165 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.19 162.85 27.52 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 -168.47 0.18 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.792 -1.417 . . . . 0.0 108.256 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.57 -44.36 80.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.09 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.64 85.9 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.978 -1.076 . . . . 0.0 109.562 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.89 91.25 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.0 t -62.25 -41.5 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -1.187 . . . . 0.0 108.169 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.1 m80 -62.6 -39.67 94.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.776 -0.578 . . . . 0.0 110.235 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -55.57 -45.63 77.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.842 -1.161 . . . . 0.0 108.35 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -62.03 -48.33 80.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.0 109.021 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 3.98 1.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.438 -0.789 . . . . 0.0 110.208 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.73 -47.49 53.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.21 -43.95 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.602 -0.686 . . . . 0.0 109.635 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -84.88 151.95 23.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.316 -0.865 . . . . 0.0 109.979 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.2 65.85 0.36 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -58.82 150.38 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.034 -1.274 . . . . 0.0 108.712 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 45' ' ' THR . 9.8 t -78.63 127.98 32.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 108.244 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -126.24 152.07 46.59 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.47 0.653 . . . . 0.0 109.975 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.918 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -130.69 159.56 36.87 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 37.8 m-85 -125.75 140.51 52.63 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -79.09 123.11 27.03 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.863 -1.148 . . . . 0.0 109.274 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.12 -36.29 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.72 5.39 2.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 0.0 110.448 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -104.98 -21.94 13.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.261 -0.899 . . . . 0.0 110.107 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptp -80.12 152.21 73.66 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.002 -1.061 . . . . 0.0 108.982 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.39 169.04 0.23 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.123 1.882 . . . . 0.0 111.92 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -68.39 -36.83 79.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.321 -0.862 . . . . 0.0 111.437 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.65 -49.51 76.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.727 -1.233 . . . . 0.0 109.631 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.83 -37.68 84.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.891 -1.131 . . . . 0.0 109.356 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.7 -42.82 89.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.598 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.92 87.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.838 -1.164 . . . . 0.0 108.951 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -64.61 -39.6 94.01 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 109.224 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.45 -48.99 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.199 -0.938 . . . . 0.0 109.151 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.97 81.44 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.054 -1.029 . . . . 0.0 109.159 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -60.29 -50.03 75.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.011 -1.055 . . . . 0.0 109.201 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 77' ' ' LEU . 7.9 mp . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.058 -1.026 . . . . 0.0 108.986 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.8 mm -121.61 132.08 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -142.78 130.37 21.33 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.1 m -136.29 148.25 47.88 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.141 -0.974 . . . . 0.0 110.932 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 158.94 82.94 Favored Pre-proline 0 N--CA 1.497 1.903 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.61 -24.89 64.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.329 2.019 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.21 -44.63 94.99 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -62.33 -42.16 99.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.16 -45.9 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.4 mmm -51.2 -20.43 1.56 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 76' ' ' HIS . . . -79.44 -10.29 59.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.827 -1.17 . . . . 0.0 109.622 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.02 122.59 31.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.259 -0.901 . . . . 0.0 109.113 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -60.19 -39.61 87.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -0.929 . . . . 0.0 109.448 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.17 -21.25 3.95 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -121.01 79.16 33.21 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.098 -1.236 . . . . 0.0 109.281 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.92 167.2 22.42 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.879 2.386 . . . . 0.0 113.095 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.52 160.23 23.08 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 p -70.75 -165.39 0.11 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.759 -1.436 . . . . 0.0 108.505 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.48 -48.46 85.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.007 -1.058 . . . . 0.0 109.429 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.34 90.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.808 -1.182 . . . . 0.0 110.335 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.98 91.06 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.36 -39.54 81.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.534 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 27.6 m80 -69.9 -24.7 63.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.694 -0.629 . . . . 0.0 109.867 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -59.82 -52.55 64.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.974 -1.079 . . . . 0.0 109.942 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -69.84 -34.93 74.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.145 -0.972 . . . . 0.0 110.432 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.62 -8.38 56.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 0.0 110.189 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -72.89 -44.19 61.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.147 -0.971 . . . . 0.0 109.659 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.23 -44.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -82.22 151.79 26.69 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.916 . . . . 0.0 109.6 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.64 61.86 3.45 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -58.21 156.25 10.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.162 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.2 m -78.33 114.3 17.1 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -132.36 157.19 45.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.303 -0.873 . . . . 0.0 109.883 -177.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 108.816 178.526 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.5 2.059 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -129.36 150.62 50.65 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 121.956 0.884 . . . . 0.0 111.455 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 66.2 m-85 -124.2 137.68 54.5 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' SD ' ' A' ' 65' ' ' MET . 59.8 t0 -92.7 110.11 21.54 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.886 -1.133 . . . . 0.0 109.092 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 64' ' ' SER . 85.1 t -64.38 -33.97 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.181 -0.95 . . . . 0.0 110.641 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.538 ' SD ' ' NH2' ' A' ' 70' ' ' ARG . 80.0 mmm -69.58 14.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.188 . . . . 0.0 110.218 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 62' ' ' VAL . 15.2 t -113.08 -24.55 9.4 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.446 -0.783 . . . . 0.0 109.765 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 65' ' ' MET . 2.2 mpt? -79.91 151.59 73.63 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.014 -1.054 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' MET . 91.2 Cg_exo -40.5 166.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.729 1.619 . . . . 0.0 111.65 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -68.97 -31.8 70.92 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 110.334 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.61 -50.79 72.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.528 -1.358 . . . . 0.0 110.722 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -68.17 -39.86 82.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.601 -1.312 . . . . 0.0 109.99 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.538 ' NH2' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 109.681 -179.442 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.72 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.76 -37.03 85.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.061 -1.024 . . . . 0.0 110.301 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.46 -48.49 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.922 -1.111 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.49 -40.82 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.987 -1.071 . . . . 0.0 109.235 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.74 81.63 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.129 -0.982 . . . . 0.0 109.512 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 24' ' ' ALA . 54.1 t-80 -60.51 -38.53 84.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.104 -0.997 . . . . 0.0 108.628 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.045 . . . . 0.0 108.967 179.498 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.423 ' HB2' ' HE1' ' A' ' 16' ' ' TRP . 13.9 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mm -113.92 129.76 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.386 -0.821 . . . . 0.0 109.033 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.423 ' HE1' ' HB2' ' A' ' 14' ' ' SER . 89.0 m95 -143.42 130.34 20.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.261 -0.899 . . . . 0.0 108.639 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.1 m -130.02 139.8 50.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.414 -0.804 . . . . 0.0 109.662 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.68 176.66 3.18 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 109.003 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -65.81 -30.03 49.94 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.046 1.831 . . . . 0.0 112.65 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.46 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 27.7 mp0 -60.05 -41.54 92.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.989 -1.069 . . . . 0.0 109.559 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -67.63 -40.07 84.65 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.657 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.435 HG23 ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -69.56 -51.88 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.422 -0.798 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 70.4 mtm -53.33 -23.3 8.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.563 -1.335 . . . . 0.0 110.226 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.85 59.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.868 -1.145 . . . . 0.0 109.214 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.28 126.98 33.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.215 -0.928 . . . . 0.0 110.05 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -60.91 -36.41 79.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 109.579 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -57.46 -27.02 57.81 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.435 ' SD ' HG23 ' A' ' 22' ' ' ILE . 49.4 mtt -128.43 81.5 70.46 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.347 -1.09 . . . . 0.0 109.118 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.15 173.92 9.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.96 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.5 162.7 32.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.433 ' C ' ' SD ' ' A' ' 23' ' ' MET . 91.9 p -70.61 -167.38 0.18 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.144 -1.209 . . . . 0.0 108.976 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.61 ' N ' ' SD ' ' A' ' 23' ' ' MET . 66.4 t -56.46 -47.34 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.321 -0.862 . . . . 0.0 109.721 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.62 86.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.701 -1.249 . . . . 0.0 109.46 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.29 93.71 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.54 -40.06 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.287 -1.125 . . . . 0.0 108.211 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 41.7 m80 -64.6 -31.05 72.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.694 -0.629 . . . . 0.0 109.883 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.87 -47.53 85.36 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.0 . . . . 0.0 109.043 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 43.1 ttm180 -63.0 -43.06 99.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.922 -1.111 . . . . 0.0 109.152 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.75 2.65 7.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.845 . . . . 0.0 110.073 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.34 -43.71 55.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.173 -0.954 . . . . 0.0 109.488 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.0 -40.87 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.665 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.0 159.44 14.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.094 -1.004 . . . . 0.0 110.207 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.23 70.6 0.89 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 15.9 m0 -55.8 152.58 9.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.512 -0.993 . . . . 0.0 109.998 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 m -77.02 126.21 30.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -133.77 151.36 51.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.424 -0.797 . . . . 0.0 110.39 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.588 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.33 158.2 38.87 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.9 m-85 -120.78 141.66 50.3 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.66 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -95.76 112.92 24.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.998 -1.064 . . . . 0.0 109.234 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.89 -20.51 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.0 110.037 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.6 mmm -72.03 -1.59 15.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.121 -0.987 . . . . 0.0 109.914 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 m -111.92 -19.17 12.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.395 -0.816 . . . . 0.0 109.676 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 47.9 mtm -80.28 151.72 72.71 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.1 Cg_exo -44.84 172.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.737 1.625 . . . . 0.0 111.682 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 t -72.41 -30.02 64.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.282 -0.886 . . . . 0.0 110.593 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.89 -48.22 82.58 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.772 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 38.8 mp0 -67.08 -35.17 79.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.855 -1.153 . . . . 0.0 109.585 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -59.8 -49.94 75.77 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 110.526 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.8 -33.79 74.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.7 -1.25 . . . . 0.0 110.533 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.38 -35.69 79.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.905 -1.122 . . . . 0.0 109.647 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.46 -48.9 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.024 -1.047 . . . . 0.0 109.566 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.8 mp -60.05 -40.44 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.839 -1.163 . . . . 0.0 108.795 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.96 88.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.167 -0.958 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -63.35 -40.04 96.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.002 -1.061 . . . . 0.0 108.711 179.569 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.544 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.8 m . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.221 0.534 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -133.56 128.58 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.569 -0.707 . . . . 0.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 25.7 m95 -145.31 132.56 20.54 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 m -136.47 151.07 49.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.135 -0.978 . . . . 0.0 110.333 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 10.7 m -73.43 153.57 89.96 Favored Pre-proline 0 N--CA 1.491 1.585 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.13 -34.33 68.11 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.916 1.744 . . . . 0.0 112.238 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -59.97 -39.12 84.55 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.918 -1.114 . . . . 0.0 108.266 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -59.83 -39.44 85.1 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' ALA . 88.9 mt -67.3 -41.77 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 mmt -47.79 -27.43 2.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.678 -1.264 . . . . 0.0 109.814 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.62 -11.82 59.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.797 -1.19 . . . . 0.0 109.319 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -85.82 114.54 22.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.132 -0.98 . . . . 0.0 109.303 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 30.3 p-10 -60.33 -34.27 73.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.49 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -50.01 -26.98 9.34 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mtt -118.94 96.7 50.36 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.309 -1.112 . . . . 0.0 109.193 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -84.59 160.74 12.55 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.644 2.23 . . . . 0.0 113.236 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 159.02 22.63 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -70.84 -168.43 0.27 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.084 -1.245 . . . . 0.0 108.922 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -56.95 -45.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.175 -0.953 . . . . 0.0 109.34 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.88 88.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.024 -1.048 . . . . 0.0 110.288 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.98 93.06 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.5 -41.43 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.311 . . . . 0.0 107.887 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.536 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.5 m80 -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.698 . . . . 0.0 109.557 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -59.92 -50.08 75.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.207 -0.933 . . . . 0.0 109.754 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.645 HH22 HE22 ' A' ' 42' ' ' GLN . 45.3 ttt-85 -66.91 -46.38 75.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 109.422 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.11 71.04 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 111.507 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.76 -39.98 94.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.574 -1.329 . . . . 0.0 109.863 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.66 -41.25 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.094 -1.004 . . . . 0.0 109.084 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.645 HE22 HH22 ' A' ' 38' ' ' ARG . 96.0 mt-30 -82.61 157.78 23.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.53 57.17 4.72 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 17.7 m0 -63.67 140.58 58.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.073 -1.251 . . . . 0.0 108.891 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -75.6 123.77 26.08 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 mtpm? -127.98 159.54 34.67 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.582 0.706 . . . . 0.0 110.42 -178.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.31 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 18' ' ' SER . 3.3 tp10 -126.23 145.29 50.45 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.31 -0.869 . . . . 0.0 109.491 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.536 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.2 m-85 -117.38 141.04 48.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.533 -0.729 . . . . 0.0 109.116 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 35.5 p-10 -96.06 124.22 39.98 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 0.0 108.964 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.13 -16.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.096 -1.002 . . . . 0.0 110.964 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.15 -9.98 59.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 110.463 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.4 p -104.98 -11.97 16.4 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.64 146.85 77.39 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.906 -1.121 . . . . 0.0 108.887 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 155.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.029 1.819 . . . . 0.0 112.114 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 110.124 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.89 -47.58 84.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.823 -1.173 . . . . 0.0 109.622 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 92.0 mt-10 -66.32 -39.38 89.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.94 . . . . 0.0 109.083 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -59.03 -40.1 84.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.474 -0.766 . . . . 0.0 109.09 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -61.06 -39.93 91.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.328 -0.857 . . . . 0.0 109.68 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -63.71 -39.82 95.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.323 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.65 -43.85 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.044 -1.035 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.03 -39.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.933 -1.104 . . . . 0.0 109.168 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.8 86.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.37 -0.831 . . . . 0.0 109.382 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -66.17 -37.44 85.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.312 -0.867 . . . . 0.0 110.586 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.494 1.761 0 O-C-N 120.539 -1.35 . . . . 0.0 109.813 -179.414 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.544 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 9.9 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.212 0.53 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.5 mt -131.47 130.09 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 21.7 m95 -140.06 136.46 33.66 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 m -139.77 147.64 41.1 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.831 -1.168 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 168.42 23.61 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.183 -0.948 . . . . 0.0 110.274 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.23 -28.14 14.24 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.842 2.361 . . . . 0.0 113.51 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.96 -43.39 95.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.838 -1.164 . . . . 0.0 109.181 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.39 -41.41 76.49 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.002 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -69.8 -53.36 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.0 110.125 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.571 ' SD ' HG22 ' A' ' 32' ' ' VAL . 80.6 mtp -51.28 -24.46 4.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.892 -1.13 . . . . 0.0 109.916 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.29 -9.4 58.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.082 -1.011 . . . . 0.0 109.781 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.81 130.07 35.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.009 -1.057 . . . . 0.0 110.337 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.881 . . . . 0.0 108.905 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.37 -27.18 52.9 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.41 ' N ' ' SD ' ' A' ' 28' ' ' MET . 1.8 mpt? -127.88 79.58 73.46 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.239 -1.154 . . . . 0.0 109.5 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.44 175.41 5.43 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 123.255 2.637 . . . . 0.0 112.587 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.64 164.92 37.11 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.566 -1.814 . . . . 0.0 108.566 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.5 p -69.0 -172.74 0.42 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.735 -1.45 . . . . 0.0 109.54 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.571 HG22 ' SD ' ' A' ' 23' ' ' MET . 62.0 t -53.64 -50.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.033 -1.042 . . . . 0.0 109.959 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' TYR . . . -58.54 -40.09 82.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 109.346 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.47 -46.13 94.94 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.22 -48.99 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 1.2 t60 -65.68 -28.45 69.09 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.703 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ALA . 59.9 t80 -59.85 -51.24 70.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 110.545 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 14.4 ptm180 -67.28 -39.33 86.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.9 -1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -7.95 43.98 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 109.218 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -76.37 -44.44 36.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.154 -0.966 . . . . 0.0 108.869 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.42 -39.82 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -79.73 155.57 27.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.24 -0.912 . . . . 0.0 110.313 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.23 57.7 3.55 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -71.46 148.42 46.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -1.203 . . . . 0.0 109.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.9 m -79.5 128.1 32.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -130.87 154.56 47.95 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.418 0.628 . . . . 0.0 110.214 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' CB ' ' NH1' ' A' ' 47' ' ' ARG . 1.3 ptp180 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -138.15 156.71 47.48 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.765 -1.209 . . . . 0.0 110.771 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 8.9 m-85 -130.46 136.9 49.47 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 19.1 p-10 -87.47 117.48 26.29 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.649 -1.282 . . . . 0.0 110.871 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.99 -12.09 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.783 -1.198 . . . . 0.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 55.1 ttm -70.02 -17.54 63.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 109.659 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.6 p -102.01 -8.69 21.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.225 -0.922 . . . . 0.0 109.548 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.8 mtt -77.71 149.68 77.96 Favored Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.917 -1.114 . . . . 0.0 108.198 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.66 164.37 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.344 1.362 . . . . 0.0 111.036 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.7 m -59.85 -39.92 86.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.274 -0.891 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.74 -49.18 78.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.21 -0.932 . . . . 0.0 111.71 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 3.7 mp0 -65.44 -50.29 65.96 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.821 -1.174 . . . . 0.0 111.506 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -60.14 -40.12 88.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.618 -1.302 . . . . 0.0 110.925 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.27 -39.88 88.4 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.404 -1.435 . . . . 0.0 108.636 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -69.84 -39.77 76.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.59 -49.33 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.784 -1.197 . . . . 0.0 109.5 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.56 -40.13 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.039 -1.038 . . . . 0.0 108.691 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.09 87.8 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.109 -0.994 . . . . 0.0 110.095 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -62.29 -40.68 97.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 108.914 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.114 -0.992 . . . . 0.0 108.546 178.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.3 0.571 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.9 mt -120.55 133.22 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.688 -0.633 . . . . 0.0 109.641 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -139.73 132.43 28.97 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.4 m -130.04 141.12 50.77 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.994 -1.066 . . . . 0.0 110.885 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.06 163.78 65.94 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.21 -42.02 67.5 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.397 2.065 . . . . 0.0 112.366 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -60.04 -42.55 94.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.828 -1.17 . . . . 0.0 108.554 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.44 -40.65 97.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.71 -47.18 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.799 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.3 mmm -43.42 -30.03 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.062 -1.024 . . . . 0.0 111.292 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.13 -9.97 59.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.71 -1.244 . . . . 0.0 109.607 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.97 121.02 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.01 -39.37 85.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.73 -24.59 1.89 Allowed Glycine 0 N--CA 1.492 2.4 0 O-C-N 121.32 -0.862 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 mmt -119.82 87.38 37.82 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.196 -1.179 . . . . 0.0 109.522 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.48 153.39 20.73 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.854 1.702 . . . . 0.0 111.931 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 162.86 15.12 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 p -74.36 -168.31 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.999 -1.295 . . . . 0.0 109.582 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.26 -50.31 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.439 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.42 87.41 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.271 -0.893 . . . . 0.0 109.055 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.76 -40.35 88.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 43.3 m80 -64.29 -40.02 95.1 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.397 -0.814 . . . . 0.0 108.826 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -60.11 -50.07 75.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 0.0 110.422 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -65.7 -51.82 56.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.881 -1.137 . . . . 0.0 109.875 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 -7.54 11.85 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.131 -0.98 . . . . 0.0 110.81 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.13 -40.33 94.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.699 -1.25 . . . . 0.0 109.761 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.8 -39.86 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.104 -0.998 . . . . 0.0 109.455 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.509 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 79.8 mt-30 -77.05 158.98 30.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.408 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.29 53.44 1.82 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.509 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 37.6 m0 -65.02 141.03 58.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -1.216 . . . . 0.0 109.551 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 45' ' ' THR . 9.6 t -75.35 131.1 40.02 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -126.57 147.89 49.82 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.766 -0.584 . . . . 0.0 110.016 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 109.001 179.094 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.33 158.13 44.58 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.352 -0.842 . . . . 0.0 110.293 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.559 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 22.6 m-85 -126.21 139.92 52.96 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.8 125.74 32.84 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.689 -1.257 . . . . 0.0 110.069 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.2 t -65.66 -30.12 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.275 -0.891 . . . . 0.0 110.696 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.3 mmm -70.33 -4.91 24.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.92 . . . . 0.0 110.58 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -101.87 -13.1 17.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.227 -0.92 . . . . 0.0 109.2 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 42.9 mtt -76.76 140.88 67.88 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 110.076 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -42.62 160.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.623 1.548 . . . . 0.0 111.461 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.9 m -60.65 -39.95 90.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 110.776 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -53.45 -51.26 63.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.843 -1.16 . . . . 0.0 110.149 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.16 -29.9 68.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.825 -1.172 . . . . 0.0 109.585 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.75 -50.0 75.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.68 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -31.58 72.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 109.467 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.56 -38.63 91.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.45 -45.48 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.313 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mm -61.21 -43.16 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.279 -0.888 . . . . 0.0 108.872 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.369 -0.832 . . . . 0.0 110.431 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -60.18 -40.99 91.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.025 . . . . 0.0 109.543 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.766 . . . . 0.0 109.907 -179.603 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.421 0.629 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -132.11 134.92 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -139.67 140.52 36.91 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.99 144.86 50.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.351 -0.843 . . . . 0.0 110.734 -179.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -72.95 155.11 90.75 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.9 -23.18 33.2 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.999 1.799 . . . . 0.0 111.978 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.92 -49.67 76.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.101 -0.999 . . . . 0.0 108.817 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.91 -42.71 94.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.26 -53.05 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.312 -0.868 . . . . 0.0 110.411 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.408 ' O ' ' SD ' ' A' ' 23' ' ' MET . 11.4 tmm? -52.31 -25.11 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.881 -1.137 . . . . 0.0 109.812 -179.071 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.76 -9.49 59.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.064 -1.022 . . . . 0.0 108.739 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.65 133.79 35.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.832 . . . . 0.0 109.302 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.01 -40.06 87.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.149 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.34 28.61 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -124.23 80.74 58.65 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.885 . . . . 0.0 108.706 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -86.52 167.43 8.82 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 123.013 2.476 . . . . 0.0 112.675 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.88 168.27 27.28 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.271 -2.332 . . . . 0.0 107.271 -179.036 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 -168.79 0.12 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.808 -1.407 . . . . 0.0 108.923 -179.101 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.74 -47.92 87.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.528 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.76 83.4 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.668 -1.27 . . . . 0.0 108.951 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.16 -39.26 49.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.03 -43.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -1.218 . . . . 0.0 108.106 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.564 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.1 m80 -60.02 -36.75 77.91 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -58.99 -45.24 91.1 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.193 -0.942 . . . . 0.0 109.134 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -63.63 -43.32 97.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.965 -1.085 . . . . 0.0 108.091 179.155 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.8 0.85 6.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.731 . . . . 0.0 110.946 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -72.89 -44.34 61.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.587 -1.321 . . . . 0.0 109.059 179.026 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.04 -47.53 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 109.204 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -80.19 155.23 27.5 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.51 70.13 0.21 Allowed Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -67.88 152.95 44.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.255 -1.144 . . . . 0.0 108.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 45' ' ' THR . 9.0 t -77.07 127.47 32.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.118 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -125.71 151.87 46.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.784 -0.573 . . . . 0.0 109.624 -178.031 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.265 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 50.1 mp0 -130.04 157.72 41.6 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.34 -0.85 . . . . 0.0 110.55 -178.464 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.0 m-85 -129.31 136.1 49.61 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -86.11 125.11 33.23 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.734 -1.229 . . . . 0.0 109.142 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' SER . 12.1 p -62.39 -30.98 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.071 -1.018 . . . . 0.0 110.776 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mmt -72.03 18.49 0.08 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.045 -1.035 . . . . 0.0 110.277 -179.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 62' ' ' VAL . 67.6 m -113.96 -31.59 6.34 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.434 -0.791 . . . . 0.0 111.195 -179.117 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -81.18 153.44 71.86 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 120.696 -1.253 . . . . 0.0 109.726 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 65' ' ' MET . 80.0 Cg_exo -41.88 171.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 0.0 111.972 178.75 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -67.89 -25.35 65.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.983 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 110.532 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.9 mp0 -64.02 -38.6 91.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 110.209 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -59.98 -44.59 94.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.933 -1.104 . . . . 0.0 109.875 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.23 -47.03 87.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.238 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.52 -39.45 77.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 110.063 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.47 -47.46 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.984 -1.072 . . . . 0.0 109.29 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.11 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.089 -1.007 . . . . 0.0 108.506 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.34 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.209 -0.932 . . . . 0.0 108.653 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.28 -42.36 99.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.047 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.443 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.4 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.5 mt -126.65 129.97 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 47' ' ' ARG . 51.3 m95 -141.42 131.33 24.45 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.2 m -139.13 152.94 47.86 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.128 -0.982 . . . . 0.0 110.594 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -72.86 153.62 91.13 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.73 -26.98 84.05 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.064 1.843 . . . . 0.0 111.9 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -60.0 -44.52 94.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.118 -0.988 . . . . 0.0 108.399 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.81 -40.47 96.71 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.352 -0.842 . . . . 0.0 108.908 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.7 mt -69.66 -43.93 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.504 ' O ' ' SD ' ' A' ' 23' ' ' MET . 13.5 tmm? -52.15 -22.29 4.11 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.323 -0.86 . . . . 0.0 109.493 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.24 -5.41 54.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.17 -0.956 . . . . 0.0 109.355 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 128.79 34.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.879 . . . . 0.0 109.773 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -60.1 -39.88 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 108.829 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.12 -16.31 18.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.543 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 6.1 mtt -128.42 79.39 74.22 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.402 -1.058 . . . . 0.0 108.893 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.27 167.55 21.32 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.793 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.87 163.74 22.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 -179.044 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 p -69.78 -167.98 0.17 Allowed 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.715 -1.462 . . . . 0.0 108.503 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -57.06 -49.96 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.543 0 C-N-CA 118.873 -1.131 . . . . 0.0 108.536 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.63 86.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.132 -0.98 . . . . 0.0 109.474 179.233 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.48 -40.25 31.07 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.384 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.37 -40.55 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.301 . . . . 0.0 108.764 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CD2' ' HH ' ' A' ' 60' ' ' TYR . 30.6 m80 -61.79 -28.85 69.75 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.372 -0.83 . . . . 0.0 109.226 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.87 -40.09 96.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.155 -0.966 . . . . 0.0 108.531 178.246 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.85 0.82 3.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.647 -0.658 . . . . 0.0 109.678 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -73.19 -53.33 11.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 109.08 178.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.03 -42.02 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -83.15 149.81 26.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.329 -0.857 . . . . 0.0 109.845 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.5 70.47 0.23 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.632 ' CZ3' ' SD ' ' A' ' 65' ' ' MET . 24.5 m0 -66.95 165.58 15.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -1.14 . . . . 0.0 108.961 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.1 m -74.27 130.05 38.97 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -132.32 150.02 52.24 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.341 -0.849 . . . . 0.0 110.746 -177.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 16' ' ' TRP . 33.7 ptt180 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.95 155.0 47.53 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.293 -0.879 . . . . 0.0 110.632 -179.199 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' HH ' ' CD2' ' A' ' 36' ' ' HIS . 87.3 m-85 -126.9 136.74 52.72 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.27 115.96 26.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.974 -1.079 . . . . 0.0 109.705 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 t -65.86 -21.24 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.135 -0.978 . . . . 0.0 109.418 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.3 tpp -71.67 -5.1 31.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.485 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.5 t -105.95 -18.73 13.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.632 ' SD ' ' CZ3' ' A' ' 44' ' ' TRP . 42.3 mtm -79.78 148.71 69.49 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.926 -1.109 . . . . 0.0 110.025 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.82 163.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.836 1.691 . . . . 0.0 111.6 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -62.42 -39.87 94.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.955 . . . . 0.0 110.334 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.3 -50.65 69.02 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.132 -0.98 . . . . 0.0 110.537 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -65.47 -39.2 91.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.027 -1.046 . . . . 0.0 109.829 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.59 -44.68 93.29 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.999 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.168 -0.957 . . . . 0.0 110.442 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -68.94 -39.95 79.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.69 -44.86 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.968 -1.083 . . . . 0.0 108.839 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.96 -40.1 82.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.7 -38.83 70.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.903 -1.123 . . . . 0.0 108.941 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.9 t-80 -64.79 -34.99 79.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.0 109.032 179.575 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.111 -0.993 . . . . 0.0 109.085 179.804 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.6 mt -130.5 129.98 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.499 -0.751 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ2' ' NH2' ' A' ' 47' ' ' ARG . 65.8 m95 -140.24 135.5 32.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -133.14 143.82 49.51 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.162 -0.961 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.92 161.19 78.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.6 -32.83 91.53 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.402 2.068 . . . . 0.0 111.961 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.97 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.57 -49.43 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.529 -0.732 . . . . 0.0 110.329 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 56.1 mtm -52.19 -22.74 4.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.608 -1.307 . . . . 0.0 110.353 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.97 -10.0 59.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.698 -1.251 . . . . 0.0 109.091 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.18 35.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.2 -0.937 . . . . 0.0 109.245 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.7 p-10 -62.05 -24.86 67.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.38 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -66.69 -30.63 76.61 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.0 mpt? -120.74 79.02 30.9 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.434 -1.039 . . . . 0.0 109.259 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -83.05 168.89 13.33 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.767 2.311 . . . . 0.0 112.52 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 167.58 35.11 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -71.31 -171.72 0.64 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.067 -1.255 . . . . 0.0 109.446 -179.055 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' N ' ' SD ' ' A' ' 23' ' ' MET . 49.0 t -57.52 -45.35 86.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.86 90.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.78 -1.2 . . . . 0.0 110.018 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.2 97.79 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.66 -40.04 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -1.044 . . . . 0.0 108.192 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 25.1 m80 -69.58 -28.46 65.99 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -59.97 -51.21 70.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.986 . . . . 0.0 110.727 -178.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 15.0 ptm180 -70.63 -41.48 72.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.607 -1.308 . . . . 0.0 109.681 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.93 -2.9 19.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.018 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -74.6 -43.02 57.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 0.0 109.204 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.9 -44.97 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.545 -0.722 . . . . 0.0 109.788 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.02 158.29 26.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.94 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.84 68.42 1.75 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -62.01 147.97 45.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.406 -1.055 . . . . 0.0 110.267 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -75.74 123.71 26.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.583 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HZ2' ' HE2' ' A' ' 60' ' ' TYR . 21.6 mtpp -134.89 151.24 50.71 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.4 -0.813 . . . . 0.0 111.196 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 ptp180 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.006 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.499 2.007 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.35 160.0 38.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.538 -0.726 . . . . 0.0 110.086 -179.039 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 36' ' ' HIS . 52.5 m-85 -123.48 148.63 46.04 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.31 116.5 28.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.068 -1.02 . . . . 0.0 108.97 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.85 -34.07 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.926 . . . . 0.0 110.534 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.0 mtp -68.53 -6.45 25.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.052 -1.03 . . . . 0.0 109.193 -178.515 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.7 p -102.63 -12.42 17.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 54.0 mtt -77.47 142.72 67.29 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -44.98 157.96 0.19 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.731 1.621 . . . . 0.0 112.067 179.062 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.0 m -60.02 -39.89 87.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.137 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.583 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 39.8 tttm -53.4 -49.56 67.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.582 -179.115 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.23 -38.68 88.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.985 -1.072 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -58.45 -39.27 79.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 109.659 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.97 -46.08 90.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.981 . . . . 0.0 109.505 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 2.1 mp0 -68.36 -39.99 81.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.898 . . . . 0.0 110.513 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.76 -50.92 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.847 -1.158 . . . . 0.0 110.018 -179.095 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.97 -40.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.196 -0.94 . . . . 0.0 109.596 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.97 -39.37 71.69 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -66.71 -37.7 85.23 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.075 -1.015 . . . . 0.0 109.569 179.805 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.5 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.2 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.2 mt -134.39 131.88 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.397 -0.814 . . . . 0.0 109.608 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.5 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.9 m95 -145.43 130.03 17.98 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.9 m -128.03 139.93 52.26 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.276 -0.89 . . . . 0.0 110.493 -178.405 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 175.84 3.68 Favored Pre-proline 0 N--CA 1.492 1.666 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.28 -32.13 42.43 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 121.918 1.745 . . . . 0.0 112.483 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.07 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.951 -1.093 . . . . 0.0 109.348 -179.232 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.44 -44.89 95.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.174 -0.953 . . . . 0.0 108.738 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -70.02 -51.29 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.58 -0.7 . . . . 0.0 109.648 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 31' ' ' SER . 33.6 mmm -42.92 -30.78 0.43 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 111.621 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.25 -6.98 58.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.799 -1.188 . . . . 0.0 109.636 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 127.27 32.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.089 -1.007 . . . . 0.0 109.945 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -39.34 85.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.359 -0.838 . . . . 0.0 109.483 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.553 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.36 -16.96 16.89 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.498 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -130.02 79.87 72.18 Favored Pre-proline 0 N--CA 1.502 2.128 0 O-C-N 121.084 -1.245 . . . . 0.0 109.126 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.6 164.99 14.16 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.938 2.425 . . . . 0.0 112.693 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.6 166.91 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' SD ' ' A' ' 23' ' ' MET . 24.7 p -71.83 -167.6 0.3 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.001 -1.294 . . . . 0.0 109.328 -179.456 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.81 -48.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.105 -0.997 . . . . 0.0 108.534 -179.338 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.119 -0.988 . . . . 0.0 109.749 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.26 -39.99 93.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.298 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.63 -41.41 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.247 -1.149 . . . . 0.0 108.418 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 36.9 m80 -61.54 -38.22 86.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.645 -0.659 . . . . 0.0 109.834 179.674 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.023 -1.048 . . . . 0.0 109.837 -178.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 63.7 ttt180 -63.2 -49.44 74.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.937 -1.102 . . . . 0.0 109.745 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.97 3.83 3.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.266 -0.897 . . . . 0.0 110.685 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.38 -40.96 73.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.885 -1.134 . . . . 0.0 108.789 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.19 -46.27 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.529 -0.732 . . . . 0.0 109.601 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -74.04 143.14 45.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.672 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.19 55.55 4.76 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -62.36 145.14 54.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 0.0 109.4 179.425 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.2 m -72.7 129.99 39.5 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -127.48 139.61 52.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.585 -0.697 . . . . 0.0 109.206 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 47' ' ' ARG . 1.6 ptm180 . . . . . 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 108.87 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.499 1.978 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -129.28 154.73 46.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.793 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.6 m-85 -122.37 136.43 54.9 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 12.2 p-10 -84.92 117.3 23.84 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.782 -1.199 . . . . 0.0 109.167 179.319 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 t -67.45 -19.88 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.087 -1.008 . . . . 0.0 111.279 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.9 mtp -72.73 3.85 4.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.762 -1.211 . . . . 0.0 110.885 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.0 p -108.1 -18.2 13.84 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.12 -0.987 . . . . 0.0 110.821 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.9 ptp -82.29 149.96 63.04 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.68 -1.263 . . . . 0.0 109.616 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -169.86 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.942 1.762 . . . . 0.0 111.967 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 68' ' ' LYS . 9.5 t -74.04 -38.36 64.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.25 -0.906 . . . . 0.0 112.741 -177.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 67' ' ' THR . 62.5 mttp -55.04 -52.46 63.1 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.401 -1.437 . . . . 0.0 111.035 -177.404 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 45.8 mp0 -66.58 -37.24 84.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.891 -1.13 . . . . 0.0 110.094 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.72 -41.51 91.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.948 -1.095 . . . . 0.0 109.716 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.057 -1.027 . . . . 0.0 109.739 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -64.65 -40.03 94.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 0.0 109.544 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.46 -51.37 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.971 -1.08 . . . . 0.0 109.491 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.53 -41.82 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.88 -1.137 . . . . 0.0 109.737 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.93 70.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 110.024 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -64.25 -43.88 93.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.084 -1.01 . . . . 0.0 110.255 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.492 1.637 0 O-C-N 120.901 -1.124 . . . . 0.0 109.454 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.447 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.2 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.4 mt -130.94 130.13 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CH2' ' CZ ' ' A' ' 47' ' ' ARG . 41.7 m95 -140.77 133.16 28.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.189 -0.945 . . . . 0.0 108.645 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.9 m -130.01 140.0 50.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.357 -0.84 . . . . 0.0 109.917 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -74.99 165.52 53.26 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.75 -29.21 79.7 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 121.853 1.702 . . . . 0.0 112.727 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -58.87 -44.97 91.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.94 -1.1 . . . . 0.0 108.279 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 39.7 mp0 -65.23 -40.64 94.32 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.914 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.403 HG23 ' SD ' ' A' ' 28' ' ' MET . 86.1 mt -70.47 -53.16 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 110.234 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 61.2 mtm -51.77 -21.6 2.93 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.376 -1.453 . . . . 0.0 109.715 -179.298 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -9.95 59.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.968 -1.083 . . . . 0.0 109.328 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.14 124.93 31.67 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.135 -0.978 . . . . 0.0 109.045 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 61.2 t0 -60.17 -40.07 88.66 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.364 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.96 -22.68 35.76 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.271 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.403 ' SD ' HG23 ' A' ' 22' ' ' ILE . 13.7 mtt -120.04 78.97 25.32 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.314 -1.109 . . . . 0.0 109.292 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.22 161.47 23.11 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.753 2.302 . . . . 0.0 112.611 -178.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.7 161.23 22.1 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.454 ' C ' ' SD ' ' A' ' 23' ' ' MET . 77.9 p -72.75 -165.31 0.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.171 -1.194 . . . . 0.0 109.367 -179.598 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' SD ' ' A' ' 23' ' ' MET . 41.9 t -56.71 -48.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.468 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.05 88.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.068 -1.02 . . . . 0.0 109.961 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.17 -45.73 94.88 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.226 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.09 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.243 . . . . 0.0 108.528 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 20.2 m80 -68.2 -33.72 74.94 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.04 -51.76 68.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.344 -0.847 . . . . 0.0 110.748 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.97 -37.92 79.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.822 -1.174 . . . . 0.0 109.691 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.12 -10.7 60.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.795 -178.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.38 -39.82 77.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.65 -43.6 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -80.34 159.53 25.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.4 -0.813 . . . . 0.0 109.689 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.73 60.02 4.25 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -69.7 144.83 52.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.183 -1.186 . . . . 0.0 109.705 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 m -78.51 121.5 24.67 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -131.97 144.3 50.72 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.573 ' CZ ' ' CH2' ' A' ' 16' ' ' TRP . 4.2 ptp180 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.05 -1.031 . . . . 0.0 109.588 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -132.33 153.92 50.24 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 53.1 m-85 -123.71 132.49 53.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -93.86 109.23 20.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.877 -1.14 . . . . 0.0 108.843 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -66.21 -11.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.153 -0.967 . . . . 0.0 110.123 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 45.9 ttm -71.56 -9.77 58.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.083 -1.011 . . . . 0.0 108.442 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -103.47 -10.8 18.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 0.0 109.518 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -77.43 154.3 81.71 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.037 -1.039 . . . . 0.0 109.104 179.506 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.52 166.32 24.28 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.76 1.64 . . . . 0.0 110.431 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.7 p -60.18 -39.58 86.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.872 -1.143 . . . . 0.0 110.427 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -55.21 -58.54 7.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.939 -1.1 . . . . 0.0 110.303 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.23 -40.06 82.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.049 -1.032 . . . . 0.0 110.327 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.84 -46.57 88.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.852 -1.155 . . . . 0.0 108.983 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -61.78 -39.9 93.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.552 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.94 -39.84 91.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 109.639 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.65 -49.52 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.98 -1.075 . . . . 0.0 108.793 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.11 -39.39 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.816 -1.177 . . . . 0.0 108.656 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.59 -34.17 57.44 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -61.89 -40.12 94.31 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.793 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.573 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 4.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 107.84 -1.171 . . . . 0.97 107.84 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -110.02 129.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 108.644 -0.873 . . . . 1.39 108.644 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 80.1 m95 -139.07 129.19 25.26 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.482 -0.933 . . . . 0.77 108.482 -179.196 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.8 m -131.56 141.38 49.68 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.449 -0.782 . . . . 0.69 109.931 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.26 160.37 82.77 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 1.55 108.85 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.38 -26.32 52.58 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.539 2.159 . . . . 0.69 111.037 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.03 -52.71 64.21 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.869 -0.789 . . . . 2.69 108.869 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.468 -0.77 . . . . 2.14 108.973 -179.622 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.417 HG23 ' SD ' ' A' ' 28' ' ' MET . 96.6 mt -67.05 -49.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 C-N-CA 119.592 -0.843 . . . . 0.59 108.785 179.176 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -44.83 -29.68 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.099 -1.0 . . . . 1.87 110.337 179.817 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -8.24 57.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.958 -1.089 . . . . 0.74 109.731 -178.415 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.1 127.57 33.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.133 -0.979 . . . . 0.53 109.493 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.03 -44.07 94.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -0.914 . . . . 2.29 109.944 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -52.08 -16.18 2.96 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.57 -1.012 . . . . 0.66 110.57 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.417 ' SD ' HG23 ' A' ' 22' ' ' ILE . 9.3 mtt -130.03 79.98 71.94 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.289 -1.124 . . . . 1.05 109.865 -179.275 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.15 170.13 12.36 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.96 2.44 . . . . 0.71 112.727 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.74 27.79 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.547 -1.821 . . . . 0.68 108.547 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' SD ' ' A' ' 23' ' ' MET . 70.7 p -71.8 -169.04 0.41 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.015 -1.285 . . . . 0.88 108.885 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.6 -48.72 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.01 -1.056 . . . . 0.9 108.872 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.99 87.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.188 -0.945 . . . . 0.84 109.577 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.37 -41.53 71.99 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.04 -1.624 . . . . 0.7 109.04 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.84 -43.37 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.6 108.155 178.717 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.544 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 34.5 m80 -60.06 -39.78 87.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.552 -0.717 . . . . 1.02 109.497 179.632 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -55.14 -45.29 75.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.202 -0.936 . . . . 1.43 108.621 -179.613 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 52.7 ttt180 -67.15 -48.76 67.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.495 -0.753 . . . . 2.72 110.052 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.22 3.57 3.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 0.79 109.637 -179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -76.68 -46.24 26.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.371 -0.831 . . . . 2.51 109.405 179.271 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.0 -40.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.407 -0.808 . . . . 1.33 109.247 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -84.23 150.22 25.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.332 -0.855 . . . . 2.34 109.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.04 61.49 2.61 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.035 -1.626 . . . . 0.77 109.035 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.596 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 31.3 m0 -59.32 150.8 25.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -1.133 . . . . 0.7 109.284 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -75.58 122.58 24.12 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 106.868 -1.53 . . . . 0.99 106.868 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -130.05 155.64 45.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.39 -0.819 . . . . 2.17 110.295 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.668 -0.864 . . . . 2.5 108.668 179.017 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 102.933 -2.988 . . . . 1.72 102.933 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.66 151.2 33.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.184 -0.948 . . . . 2.18 110.076 -176.733 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 64.6 m-85 -116.78 138.43 51.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.814 -0.81 . . . . 0.71 108.814 -179.064 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.1 115.66 23.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.133 -0.979 . . . . 1.98 108.775 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.81 -20.6 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 1.32 109.693 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.08 -2.78 29.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 1.7 110.654 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.3 p -106.78 -15.8 14.64 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.092 -1.005 . . . . 1.39 110.047 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 8.7 mtt -79.98 147.89 66.89 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.838 -1.164 . . . . 1.5 109.622 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.6 Cg_exo -44.03 170.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.632 1.555 . . . . 0.79 111.345 178.462 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.81 86.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 1.55 109.343 179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -55.16 -55.3 32.7 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.892 . . . . 2.97 111.546 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.703 -1.248 . . . . 2.62 109.131 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.97 -44.48 94.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.022 -1.049 . . . . 3.08 109.757 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -60.09 -39.87 87.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.559 -1.338 . . . . 2.32 108.914 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -60.92 -40.14 92.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.38 -0.825 . . . . 2.26 108.813 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.52 -47.18 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.66 109.795 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.01 -42.78 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.023 -1.048 . . . . 1.38 108.544 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.495 -0.753 . . . . 0.69 110.503 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -60.18 -40.42 89.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.103 . . . . 1.06 109.109 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 107.963 -1.125 . . . . 1.55 107.963 178.847 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.456 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m -79.6 159.77 26.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.179 -0.95 . . . . 0.0 108.969 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -132.62 129.99 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CE3' ' OD1' ' A' ' 61' ' ' ASP . 29.0 m95 -139.95 130.85 26.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.6 m -130.04 141.63 50.71 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.362 -0.836 . . . . 0.0 110.035 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.01 158.02 86.28 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.897 . . . . 0.0 109.463 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HB2' HG13 ' A' ' 32' ' ' VAL . 18.7 Cg_endo -57.51 -26.89 74.0 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.813 2.342 . . . . 0.0 112.655 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -59.95 -44.43 94.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.987 -1.07 . . . . 0.0 108.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 40.0 mp0 -68.33 -40.1 81.73 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.255 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 82.9 mt -68.9 -54.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.337 -0.852 . . . . 0.0 110.546 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -14.29 46.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.752 -1.218 . . . . 0.0 110.33 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.42 -6.24 57.76 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.15 131.19 35.68 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 108.577 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.2 -24.16 50.23 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.505 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 8.1 mtt -121.8 80.13 40.77 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.539 -0.977 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.85 168.85 17.12 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.814 2.343 . . . . 0.0 112.564 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.24 165.47 28.74 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -70.03 -168.31 0.2 Allowed 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.985 -1.303 . . . . 0.0 108.955 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 19' ' ' PRO . 54.4 t -58.26 -46.59 88.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.187 -0.945 . . . . 0.0 109.294 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.665 -1.272 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.99 -40.2 50.26 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.33 -40.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.209 -1.171 . . . . 0.0 108.162 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 61.7 m80 -59.97 -33.93 72.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.814 . . . . 0.0 109.092 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.608 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 66.9 t80 -59.54 -47.45 85.47 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 109.227 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 38' ' ' ARG . 53.8 mtt-85 -65.02 -40.4 94.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.752 -1.218 . . . . 0.0 108.884 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.75 1.57 8.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.601 -0.687 . . . . 0.0 110.444 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' A' ' 37' ' ' TYR . 1.2 p30 -74.89 -37.69 62.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.946 -1.097 . . . . 0.0 109.176 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.9 -58.09 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.661 -0.65 . . . . 0.0 111.065 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.05 159.73 26.07 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.183 . . . . 0.0 110.607 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.55 69.4 2.51 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD2' ' SD ' ' A' ' 65' ' ' MET . 14.5 m0 -59.69 146.77 40.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.641 -0.917 . . . . 0.0 110.025 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 ' OD2' ' A' ' 61' ' ' ASP . 30.4 m -76.93 121.21 23.13 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -128.47 150.29 50.21 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.756 -0.59 . . . . 0.0 109.543 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -141.87 131.64 24.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.475 -0.766 . . . . 0.0 109.016 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' NZ ' ' NZ ' ' A' ' 56' ' ' LYS . 23.8 mtpp -91.09 98.77 11.96 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 51' ' ' GLY . 60.6 tttm -81.22 154.46 26.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.011 -1.055 . . . . 0.0 108.963 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.25 26.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.391 -0.818 . . . . 0.0 111.12 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 49' ' ' LYS . . . 78.72 130.17 0.62 Allowed Glycine 0 N--CA 1.495 2.616 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.701 ' O ' HG13 ' A' ' 52' ' ' VAL . 14.2 p -97.07 100.22 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.225 -1.162 . . . . 0.0 107.953 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 50.87 32.23 7.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.052 -1.03 . . . . 0.0 108.96 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.71 -115.09 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.77 130.16 2.02 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.081 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' NZ ' ' NZ ' ' A' ' 48' ' ' LYS . 5.8 mmtt 59.83 80.94 0.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.29 -1.124 . . . . 0.0 110.288 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . . . -102.58 132.48 48.64 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.057 -1.027 . . . . 0.0 108.334 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.67 138.71 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.349 -0.844 . . . . 0.0 110.118 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -133.03 158.23 43.25 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.448 -0.783 . . . . 0.0 110.169 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.9 m-85 -129.41 149.71 51.08 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' CE3' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -95.03 112.04 23.79 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.019 -1.051 . . . . 0.0 109.153 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.45 -24.46 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 110.464 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.8 tpp -70.34 -15.53 62.88 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.198 -0.939 . . . . 0.0 110.258 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.5 p -99.67 -8.53 24.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.881 -1.137 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.482 ' SD ' ' CD2' ' A' ' 44' ' ' TRP . 15.6 mmt -78.58 146.57 69.78 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.083 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -41.55 155.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.677 1.585 . . . . 0.0 111.714 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.0 m -59.98 -39.92 87.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.999 -1.063 . . . . 0.0 109.192 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.34 -42.78 78.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 108.771 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.24 -38.67 91.89 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -58.84 -39.29 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.619 -0.675 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.956 -1.09 . . . . 0.0 109.002 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -62.11 -40.01 94.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.471 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.68 -49.86 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.713 -1.242 . . . . 0.0 109.022 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -60.65 -40.03 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.23 88.79 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.389 -0.819 . . . . 0.0 109.422 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 108.849 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.04 -31.43 69.06 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.94 -14.74 53.92 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.9 mt -83.1 -2.17 54.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.205 -1.173 . . . . 0.0 109.223 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -150.51 -34.74 0.16 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.944 -1.098 . . . . 0.0 110.131 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.199 -0.938 . . . . 0.0 109.686 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -80.11 160.41 25.75 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.194 -0.941 . . . . 0.0 109.455 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.88 133.46 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -143.14 136.6 28.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.131 -0.98 . . . . 0.0 109.587 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.87 137.71 49.48 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.262 -0.899 . . . . 0.0 110.637 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 159.87 81.33 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.451 -0.781 . . . . 0.0 109.12 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -54.2 -35.16 81.89 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.189 1.926 . . . . 0.0 111.843 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 12.4 pt20 -60.09 -43.71 95.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.672 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 95.7 mt-10 -62.35 -41.12 98.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.279 -0.888 . . . . 0.0 108.687 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.7 -44.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 31' ' ' SER . 38.7 mmm -48.17 -25.4 1.47 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.326 -0.859 . . . . 0.0 110.147 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 -10.14 59.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.917 -1.115 . . . . 0.0 109.718 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 117.08 24.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.108 -0.995 . . . . 0.0 109.807 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 34.4 p-10 -61.62 -33.13 73.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -54.95 -29.91 52.5 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -119.4 84.29 28.57 Favored Pre-proline 0 N--CA 1.499 2.02 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.62 172.39 11.32 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.815 2.343 . . . . 0.0 112.886 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.61 160.79 24.96 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' SD ' ' A' ' 23' ' ' MET . 55.7 p -71.69 -165.86 0.18 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.029 -1.277 . . . . 0.0 108.968 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.57 -50.14 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.905 -1.122 . . . . 0.0 109.004 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.76 88.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.747 -1.221 . . . . 0.0 108.593 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.17 -41.95 71.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.47 -42.62 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.195 -1.179 . . . . 0.0 107.964 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.578 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 67.0 m80 -60.05 -38.28 82.3 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.654 -0.654 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -57.21 -49.29 76.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.16 -0.963 . . . . 0.0 108.966 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 38' ' ' ARG . 38.9 ttm-85 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.939 -1.1 . . . . 0.0 108.77 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.57 9.58 4.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.384 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -76.19 -51.73 11.52 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.877 -1.139 . . . . 0.0 109.211 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.4 -40.11 77.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.656 -0.653 . . . . 0.0 109.889 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.36 153.89 31.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.725 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.93 63.96 1.47 Allowed Glycine 0 N--CA 1.498 2.777 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -62.19 148.55 44.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -1.143 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -78.75 130.49 35.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.0 mtpm? -133.06 150.24 52.12 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.4 -0.812 . . . . 0.0 110.448 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -143.78 143.8 31.52 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -83.51 146.16 28.52 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 79.0 tttt -150.1 112.87 4.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.96 -1.087 . . . . 0.0 110.651 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -80.06 151.41 29.92 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.86 -65.2 0.19 Allowed Glycine 0 N--CA 1.491 2.348 0 C-N-CA 119.421 -1.371 . . . . 0.0 109.711 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.19 133.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -1.113 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 54' ' ' GLY . 58.6 tttm -65.87 128.49 36.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.352 -0.843 . . . . 0.0 109.733 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 53' ' ' LYS . . . 60.54 143.47 0.01 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 87.6 -23.48 12.77 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' GLY . 68.2 mttm 53.93 164.7 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -1.057 . . . . 0.0 109.823 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -120.03 135.54 54.89 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.321 -0.862 . . . . 0.0 110.427 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.23 145.12 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.9 mp0 -135.19 159.23 42.19 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.827 -1.171 . . . . 0.0 111.964 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.578 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 86.0 m-85 -129.43 144.6 51.31 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' SD ' ' A' ' 65' ' ' MET . 54.7 t0 -94.99 117.02 29.44 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.841 -1.162 . . . . 0.0 109.23 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.27 -21.96 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.162 -0.961 . . . . 0.0 109.976 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.6 mmt -75.06 1.95 11.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.343 -0.848 . . . . 0.0 111.07 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 p -107.03 -27.62 10.52 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.987 -1.07 . . . . 0.0 110.456 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -82.36 155.15 69.32 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.68 -1.262 . . . . 0.0 108.543 178.744 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 65' ' ' MET . 87.6 Cg_exo -40.88 164.75 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.942 1.761 . . . . 0.0 111.952 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.9 p -70.23 -26.46 63.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.159 -0.963 . . . . 0.0 110.799 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.93 -42.92 95.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.944 -1.098 . . . . 0.0 110.255 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -66.4 -38.91 88.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.805 -1.184 . . . . 0.0 109.941 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -59.44 -42.99 93.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.985 . . . . 0.0 110.585 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.14 -40.01 88.33 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.929 -1.107 . . . . 0.0 108.836 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -66.87 -39.98 87.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.4 t -69.71 -44.62 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.197 -0.94 . . . . 0.0 109.494 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.56 -43.22 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.167 -0.958 . . . . 0.0 109.794 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.65 95.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.709 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -62.31 -42.1 99.08 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.205 -0.934 . . . . 0.0 108.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.0 -31.49 69.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 109.799 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.91 92.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.8 -7.61 55.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.995 -1.297 . . . . 0.0 109.52 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' THR . 4.9 t -102.38 2.83 37.21 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.541 -0.725 . . . . 0.0 109.476 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' SER . 8.5 p . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.679 -0.638 . . . . 0.0 110.104 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 pttt . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.23 0.538 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.428 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.9 m -79.99 165.38 22.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.448 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.4 mt -130.16 131.41 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.428 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 57.8 m95 -140.55 130.89 25.15 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -135.16 150.07 50.09 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.163 -0.961 . . . . 0.0 110.89 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 162.67 72.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.314 -0.866 . . . . 0.0 109.17 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.66 -27.86 76.38 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.013 1.809 . . . . 0.0 111.716 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.81 -41.98 92.44 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.848 -1.158 . . . . 0.0 108.088 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.46 -40.41 91.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.48 -46.32 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.166 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.574 ' SD ' HG22 ' A' ' 32' ' ' VAL . 89.5 mtp -47.33 -25.59 1.04 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.892 -1.13 . . . . 0.0 110.188 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.87 -8.17 59.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.975 -1.078 . . . . 0.0 109.305 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.3 118.72 24.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.101 -1.0 . . . . 0.0 109.906 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.03 -39.93 91.68 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -54.05 -16.54 6.3 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 mtt -130.07 79.09 73.62 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.465 -1.021 . . . . 0.0 108.557 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -79.71 170.57 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.74 2.294 . . . . 0.0 112.866 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.37 158.31 25.98 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 p -70.86 -166.24 0.14 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.027 -1.278 . . . . 0.0 108.711 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.574 HG22 ' SD ' ' A' ' 23' ' ' MET . 49.0 t -55.63 -48.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.82 -1.175 . . . . 0.0 108.927 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.13 84.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.074 -1.017 . . . . 0.0 109.553 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.08 94.01 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.09 -42.25 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.865 -1.373 . . . . 0.0 107.872 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.555 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 29.8 m80 -60.65 -31.04 70.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.656 -0.652 . . . . 0.0 109.811 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -59.71 -49.64 76.96 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.027 -1.045 . . . . 0.0 108.997 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.545 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 51.5 mtp180 -62.64 -40.84 98.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.91 -1.119 . . . . 0.0 109.574 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.14 40.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.828 . . . . 0.0 109.956 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.69 -48.02 42.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 108.36 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.97 -44.13 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -80.65 157.55 25.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 0.0 110.41 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.11 70.08 0.24 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -65.17 157.17 29.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -1.052 . . . . 0.0 109.633 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -79.56 118.99 21.92 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -129.06 159.9 34.47 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.934 0.873 . . . . 0.0 111.136 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -138.91 115.13 10.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -82.3 159.48 23.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.133 -0.979 . . . . 0.0 111.785 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -154.94 133.81 12.19 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 51' ' ' GLY . 45.4 mt-10 64.6 37.23 7.94 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 45.08 99.95 0.01 OUTLIER Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.0 m -106.34 121.69 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.355 -1.085 . . . . 0.0 110.222 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -114.01 -4.76 13.17 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.85 -0.71 0.03 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.11 -119.5 0.48 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 52.01 -141.47 0.82 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.285 -1.126 . . . . 0.0 109.935 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.44 110.53 20.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.054 -1.029 . . . . 0.0 110.99 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.79 145.18 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -127.6 145.0 51.02 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.195 -0.941 . . . . 0.0 110.592 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.555 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.1 m-85 -119.46 140.9 49.7 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.825 -0.547 . . . . 0.0 109.612 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 18.4 p-10 -99.25 125.31 44.84 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.227 -0.92 . . . . 0.0 109.57 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.78 -18.63 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -75.72 8.39 3.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.649 -1.282 . . . . 0.0 111.07 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.8 p -107.02 -24.04 12.12 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.005 -1.059 . . . . 0.0 111.285 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -78.24 159.49 75.19 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 120.462 -1.399 . . . . 0.0 109.232 179.641 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.92 171.11 11.62 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.39 2.06 . . . . 0.0 111.534 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.2 p -60.76 -39.95 90.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.935 -1.103 . . . . 0.0 111.702 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -49.92 73.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 0.0 110.012 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 4.6 mp0 -67.74 -37.56 82.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.024 -1.047 . . . . 0.0 110.153 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -59.41 -39.79 84.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.572 -1.33 . . . . 0.0 109.426 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.26 -40.08 89.09 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.057 -1.027 . . . . 0.0 108.881 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -65.16 -39.59 93.15 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.214 -0.929 . . . . 0.0 108.618 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -70.21 -50.12 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.875 . . . . 0.0 109.52 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.25 -39.94 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.71 77.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.803 . . . . 0.0 109.75 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -63.15 -41.92 99.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 108.917 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.5 -39.2 88.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 108.71 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.04 95.94 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.77 -0.67 57.24 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.542 -1.563 . . . . 0.0 109.388 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.1 m -89.25 2.11 54.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.358 -0.839 . . . . 0.0 108.864 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.961 . . . . 0.0 109.295 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.478 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.6 m -80.2 165.32 22.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.096 -1.003 . . . . 0.0 109.452 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 97.8 mt -132.47 130.55 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 44.9 m95 -141.1 140.1 34.1 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.322 -0.861 . . . . 0.0 108.837 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -130.06 139.05 51.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.296 -0.878 . . . . 0.0 110.312 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -73.04 153.25 90.82 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.476 -0.765 . . . . 0.0 108.997 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' MET . 7.1 Cg_endo -49.21 -34.98 32.69 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.957 1.771 . . . . 0.0 111.571 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.89 -47.29 86.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.03 -43.17 83.48 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.265 -0.897 . . . . 0.0 108.939 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.515 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 85.9 mt -71.38 -53.36 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.423 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PRO . 12.7 tmm? -51.29 -20.96 1.87 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.922 -1.111 . . . . 0.0 110.224 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -5.8 51.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.719 -1.238 . . . . 0.0 108.784 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.45 127.95 33.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.94 -10.23 3.43 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.515 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 5.8 mtt -130.32 81.37 68.45 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.452 -1.028 . . . . 0.0 108.699 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 60.5 Cg_endo -82.37 161.15 17.38 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 123.108 2.539 . . . . 0.0 113.484 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.62 23.49 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.242 -1.943 . . . . 0.0 108.242 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -70.42 -170.06 0.36 Allowed 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.802 -1.411 . . . . 0.0 108.643 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.79 -43.32 87.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.219 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.66 83.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.834 -1.166 . . . . 0.0 109.2 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.42 88.22 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.94 -42.34 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.244 -1.15 . . . . 0.0 108.176 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.2 m80 -60.71 -34.31 74.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.616 -0.678 . . . . 0.0 109.629 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.25 -52.6 64.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.157 -0.965 . . . . 0.0 110.045 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -70.19 -39.78 75.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.606 -1.309 . . . . 0.0 109.403 178.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.546 -1.346 . . . . 0.0 109.23 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.25 -40.06 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 95.8 mt-30 -80.05 152.52 29.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.333 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.91 58.31 5.04 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 16.1 m0 -73.2 143.3 47.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -1.159 . . . . 0.0 109.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 128.99 34.51 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -129.11 154.48 46.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.475 -0.766 . . . . 0.0 109.919 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -143.97 145.55 32.32 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -92.57 111.53 23.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.166 -0.959 . . . . 0.0 110.207 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 25.4 ttpp -89.0 113.54 24.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.2 -0.937 . . . . 0.0 109.486 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -80.67 9.98 5.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.246 -0.909 . . . . 0.0 109.864 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' H ' ' HG2' ' A' ' 49' ' ' LYS . . . -59.03 -34.42 79.0 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 54' ' ' GLY . 60.0 t -62.72 134.41 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.968 -1.313 . . . . 0.0 109.475 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.359 -0.838 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' H ' HG12 ' A' ' 52' ' ' VAL . . . -164.25 87.52 0.1 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 176.81 -15.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 55' ' ' GLY . 24.2 ttpp 57.08 113.4 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.595 -0.944 . . . . 0.0 110.16 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -95.96 156.9 16.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.367 -0.833 . . . . 0.0 109.559 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.92 135.78 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -129.21 155.65 45.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.299 -0.876 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.463 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.1 m-85 -128.73 150.03 50.45 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -93.97 120.76 34.67 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.007 -1.058 . . . . 0.0 109.29 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.23 -33.89 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.935 . . . . 0.0 109.996 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 99.7 mtp -71.68 3.12 4.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.437 -0.789 . . . . 0.0 111.063 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 t -106.95 -26.37 11.22 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.111 -0.993 . . . . 0.0 110.434 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 66' ' ' PRO . 5.6 ptp -81.94 151.75 67.69 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.998 -1.064 . . . . 0.0 109.843 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 62.3 Cg_exo -36.28 160.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.567 2.178 . . . . 0.0 112.486 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.6 m -69.36 -31.73 70.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.471 -0.768 . . . . 0.0 110.208 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.538 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 98.2 mttt -59.84 -42.99 94.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.32 -35.58 81.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.712 -1.243 . . . . 0.0 108.711 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -59.43 -40.02 85.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 0.0 108.958 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.74 -40.68 93.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.036 -1.04 . . . . 0.0 108.383 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.09 -39.92 90.39 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -68.37 -45.46 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 108.496 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.0 -46.94 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 121.681 0.753 . . . . 0.0 109.119 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.44 74.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 109.52 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.08 -40.71 90.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.205 -0.935 . . . . 0.0 110.232 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 77' ' ' LEU . 8.4 mp -60.08 -38.11 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.917 -1.114 . . . . 0.0 108.989 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.19 -50.37 68.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -93.96 -169.15 2.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.112 -1.228 . . . . 0.0 109.401 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m 56.8 -5.26 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.772 -0.58 . . . . 0.0 110.972 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 79' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.015 -1.053 . . . . 0.0 109.619 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 pttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.0 m -80.01 163.94 23.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -120.2 130.75 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.506 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 75.2 m95 -143.59 131.34 21.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.109 -0.994 . . . . 0.0 109.002 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.4 m -132.1 143.9 50.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.509 -0.745 . . . . 0.0 110.17 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 162.25 75.16 Favored Pre-proline 0 N--CA 1.491 1.588 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.19 -31.63 93.88 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.559 2.173 . . . . 0.0 112.243 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -59.81 -43.22 94.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 109.321 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 mp0 -62.35 -40.27 95.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.102 -0.998 . . . . 0.0 108.407 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.444 HG23 ' SD ' ' A' ' 28' ' ' MET . 95.8 mt -67.3 -47.75 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.663 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 44.7 mtm -53.07 -21.33 4.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.656 -1.277 . . . . 0.0 110.09 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.52 -10.01 59.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.93 124.82 32.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.13 -0.981 . . . . 0.0 109.469 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 25.0 p-10 -60.01 -39.5 86.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -0.846 . . . . 0.0 109.596 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.29 -24.21 44.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 22' ' ' ILE . 3.2 mtt -122.72 79.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.454 -1.027 . . . . 0.0 108.881 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -84.67 173.44 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 123.006 2.471 . . . . 0.0 112.892 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 161.96 34.56 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.6 p -71.07 -167.42 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.04 -1.271 . . . . 0.0 108.648 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' N ' ' SD ' ' A' ' 23' ' ' MET . 55.5 t -56.41 -45.65 81.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 110.274 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.526 -1.359 . . . . 0.0 109.741 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.24 -40.65 92.09 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.28 -43.84 98.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.172 -1.193 . . . . 0.0 107.991 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 24.9 m80 -62.16 -28.49 69.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.655 -0.653 . . . . 0.0 109.616 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.9 -41.89 92.63 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 60.4 mtp180 -64.4 -43.07 95.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.311 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.84 7.74 8.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.422 -0.799 . . . . 0.0 110.225 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -74.68 -51.55 14.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.309 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.98 -41.19 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.739 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -94.8 151.52 19.18 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.243 -0.911 . . . . 0.0 110.063 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.02 65.47 1.95 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -47.21 156.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.387 -1.066 . . . . 0.0 109.888 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -76.31 129.12 36.16 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -138.16 159.58 41.67 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.324 -0.86 . . . . 0.0 110.56 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -145.66 142.24 28.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.13 103.95 16.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.452 -0.78 . . . . 0.0 109.982 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' GLU . 18.1 tptm -87.38 117.28 26.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.94 -1.1 . . . . 0.0 108.853 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' LYS . 51.9 mm-40 36.45 -144.24 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.377 0.608 . . . . 0.0 110.582 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.57 67.02 0.31 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 57' ' ' ALA . 11.2 m -91.23 157.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.285 -1.126 . . . . 0.0 110.423 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' GLY . 60.7 tttm 55.84 162.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.593 -0.692 . . . . 0.0 109.646 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.52 22.17 0.86 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . -137.17 6.64 3.69 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 55' ' ' GLY . 96.7 mttt 54.4 167.7 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.612 -0.934 . . . . 0.0 109.39 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -102.36 121.46 42.34 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 108.328 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.49 144.1 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.465 -0.772 . . . . 0.0 109.027 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.8 mp0 -128.67 158.2 39.21 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.639 0.733 . . . . 0.0 110.037 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 95.0 m-85 -120.51 143.7 48.42 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.32 110.93 22.34 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.033 -1.042 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.87 -30.04 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.112 -0.992 . . . . 0.0 109.535 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.6 ttm -69.65 -7.78 41.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 t -102.8 -14.31 16.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.479 -0.763 . . . . 0.0 108.949 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 mtt -81.08 152.06 70.84 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.398 -0.814 . . . . 0.0 109.832 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.9 168.46 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.637 1.558 . . . . 0.0 111.103 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.6 p -74.04 -31.76 63.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 0.0 111.466 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -57.61 -49.19 77.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.986 -1.071 . . . . 0.0 110.159 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 27.5 mp0 -67.42 -36.61 81.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.975 . . . . 0.0 109.333 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.44 -46.56 88.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.0 109.276 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.16 -40.11 92.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.988 . . . . 0.0 109.616 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -63.83 -39.82 95.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 0.0 110.616 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.98 -49.19 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.81 -1.181 . . . . 0.0 109.17 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.41 -38.39 77.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.159 -0.963 . . . . 0.0 109.438 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.41 69.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.519 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -59.9 -39.84 86.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.59 -13.8 52.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.34 81.44 7.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.954 -1.321 . . . . 0.0 109.577 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m 53.94 25.55 5.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.646 -0.658 . . . . 0.0 110.719 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.267 -0.896 . . . . 0.0 109.388 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.655 0.741 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.436 ' HB2' ' HE1' ' A' ' 16' ' ' TRP . 5.6 m -159.39 169.35 24.15 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.24 129.63 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.247 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CD2' ' OD1' ' A' ' 61' ' ' ASP . 61.0 m95 -140.38 123.99 17.12 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -132.31 145.83 51.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.271 -0.893 . . . . 0.0 110.176 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 160.0 83.92 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.02 -28.6 34.99 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.499 2.133 . . . . 0.0 111.906 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 19.8 pt20 -60.88 -42.0 97.09 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 78.1 mm-40 -63.66 -42.56 98.06 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.5 mt -70.07 -40.15 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.804 . . . . 0.0 108.849 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 23' ' ' MET . 13.8 tmm? -50.34 -25.41 3.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 110.24 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -4.72 47.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.07 129.65 35.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.131 -0.981 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.74 -39.99 93.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.213 -0.929 . . . . 0.0 110.23 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.32 -15.23 22.62 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.504 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 26.2 mtt -129.87 78.85 74.35 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.589 -0.948 . . . . 0.0 108.614 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -82.74 170.32 12.81 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 123.181 2.588 . . . . 0.0 113.213 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.83 166.23 23.33 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 107.6 -2.2 . . . . 0.0 107.6 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 p -69.99 -167.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.724 -1.456 . . . . 0.0 108.593 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.9 t -57.41 -50.02 78.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.089 -1.045 . . . . 0.0 108.922 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.65 77.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.913 -1.117 . . . . 0.0 108.964 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.92 45.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.79 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.903 -1.351 . . . . 0.0 108.564 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' CD2' ' HH ' ' A' ' 60' ' ' TYR . 32.9 m80 -59.97 -33.38 71.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.64 -48.71 80.61 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -60.06 -46.68 88.76 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLN . . . -76.57 1.71 16.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.964 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -75.13 -40.0 60.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.101 -0.999 . . . . 0.0 108.853 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.73 -45.5 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 39' ' ' ALA . 94.7 mm-40 -94.28 159.6 15.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.459 -0.776 . . . . 0.0 109.43 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.67 61.87 0.37 Allowed Glycine 0 N--CA 1.501 3.033 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 19.6 m0 -51.8 172.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.999 -1.294 . . . . 0.0 108.891 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 120.94 22.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -129.02 154.87 46.22 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -144.1 130.94 20.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.345 -0.847 . . . . 0.0 110.047 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.44 145.77 25.09 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -152.51 152.93 32.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.06 -1.025 . . . . 0.0 108.695 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' VAL . 52.9 mt-10 -68.07 140.09 56.25 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.159 -0.963 . . . . 0.0 108.458 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.43 97.29 0.01 OUTLIER Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.459 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 53.4 t -60.25 -41.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -1.11 . . . . 0.0 108.011 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.01 -8.76 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.67 44.38 2.7 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -175.08 61.16 0.11 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 55' ' ' GLY . 62.0 tttp 57.64 126.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.674 -0.898 . . . . 0.0 110.77 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB2' ' H ' ' A' ' 52' ' ' VAL . . . -125.23 118.0 25.08 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.489 -0.757 . . . . 0.0 109.595 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.75 143.08 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -131.34 153.11 49.95 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.182 -0.949 . . . . 0.0 111.521 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HH ' ' CD2' ' A' ' 36' ' ' HIS . 52.0 m-85 -129.78 146.48 51.53 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD1' ' CD2' ' A' ' 16' ' ' TRP . 95.4 m-20 -100.25 120.63 40.2 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.84 -1.162 . . . . 0.0 111.006 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.09 -28.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 0.0 109.661 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.9 tpp -71.35 -1.7 13.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 109.837 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.3 m -101.86 -22.58 14.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 110.211 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.452 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 3.0 mpp? -79.93 149.82 70.99 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.855 -1.153 . . . . 0.0 108.99 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 71.2 Cg_exo -43.1 169.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 121.691 1.594 . . . . 0.0 111.472 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 p -69.94 -31.57 69.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.097 -1.002 . . . . 0.0 110.791 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -58.96 -48.28 82.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.826 -1.171 . . . . 0.0 110.273 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 39.5 mp0 -67.38 -32.27 73.07 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.772 -1.205 . . . . 0.0 109.084 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -59.87 -43.71 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.885 . . . . 0.0 109.207 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -40.01 87.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.77 -35.36 77.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 110.471 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.43 -50.0 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.815 -1.178 . . . . 0.0 110.3 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.7 mp -61.77 -39.01 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.913 -1.117 . . . . 0.0 109.778 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.96 93.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.886 -1.134 . . . . 0.0 109.784 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -60.04 -40.27 88.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.853 -1.154 . . . . 0.0 108.665 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.41 -30.76 71.6 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.82 -27.94 37.8 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 2.5 mm? -85.71 -75.65 0.36 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.302 -1.117 . . . . 0.0 109.291 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.6 p -110.93 125.42 53.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.617 -0.677 . . . . 0.0 109.416 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.299 0.571 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.5 m -80.04 160.54 25.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 109.45 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.61 131.57 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.417 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 50.6 m95 -139.98 129.91 24.78 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.31 141.77 50.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.425 -0.797 . . . . 0.0 109.837 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.3 157.47 89.17 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 108.688 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.23 -30.84 53.06 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.23 1.954 . . . . 0.0 112.177 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -59.83 -44.74 93.89 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.61 -40.98 93.86 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.18 -48.28 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.425 -0.797 . . . . 0.0 109.364 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.541 ' SD ' HG22 ' A' ' 32' ' ' VAL . 81.3 mtp -43.71 -31.19 0.74 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 110.843 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.48 -10.19 59.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.848 -1.157 . . . . 0.0 110.868 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.87 126.31 32.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.676 -1.265 . . . . 0.0 109.461 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.04 -40.01 87.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 109.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -53.71 -30.07 42.61 Favored Glycine 0 N--CA 1.494 2.531 0 C-N-CA 120.307 -0.949 . . . . 0.0 110.733 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -119.74 79.11 23.06 Favored Pre-proline 0 N--CA 1.503 2.196 0 O-C-N 121.28 -1.129 . . . . 0.0 109.202 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.97 163.52 20.41 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.679 2.253 . . . . 0.0 112.82 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.54 160.07 17.22 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -71.87 -163.72 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.905 -1.35 . . . . 0.0 108.995 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG22 ' SD ' ' A' ' 23' ' ' MET . 61.6 t -57.7 -53.58 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.041 -1.037 . . . . 0.0 109.329 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.69 94.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.902 -1.124 . . . . 0.0 109.666 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.23 -43.81 57.2 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.52 -42.49 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.143 -1.21 . . . . 0.0 108.351 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 54.7 m80 -60.12 -38.39 82.91 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 61.9 t80 -59.87 -43.91 94.47 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.559 -0.713 . . . . 0.0 109.653 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 70.4 ttt180 -66.22 -41.34 90.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.687 -1.258 . . . . 0.0 109.491 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.51 3.53 31.89 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.269 -0.894 . . . . 0.0 111.713 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.61 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 48.4 p30 -73.05 -39.83 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.428 -1.42 . . . . 0.0 108.524 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.61 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 51.8 t -69.97 -39.97 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 108.97 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.24 148.36 25.16 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.267 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 63.11 4.01 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.18 153.11 15.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -1.079 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -78.09 122.11 25.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.14 148.8 52.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.701 -0.625 . . . . 0.0 109.915 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -140.32 131.54 26.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -89.88 111.11 22.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.144 -0.972 . . . . 0.0 109.234 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 50' ' ' GLU . 18.3 mtpp -90.29 123.49 34.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.073 -1.017 . . . . 0.0 109.774 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 49' ' ' LYS . 98.7 mt-10 36.37 -156.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 121.084 0.468 . . . . 0.0 110.526 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.93 60.91 0.64 Allowed Glycine 0 N--CA 1.496 2.639 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -57.06 142.37 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.204 -1.174 . . . . 0.0 109.048 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.03 139.04 57.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.22 -55.55 0.75 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 172.84 40.3 0.04 OUTLIER Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' A' ' 55' ' ' GLY . 99.1 mttt 57.45 146.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.889 -0.771 . . . . 0.0 109.842 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.87 135.63 33.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.741 -1.224 . . . . 0.0 109.535 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 140.44 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.473 -0.767 . . . . 0.0 109.827 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 49.4 mp0 -130.6 151.45 51.05 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.472 -0.768 . . . . 0.0 109.754 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.0 m-85 -120.09 143.59 48.06 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 65' ' ' MET . 63.3 t0 -90.77 114.07 26.35 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.97 -1.081 . . . . 0.0 108.947 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.05 -31.6 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.038 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.1 mtp -72.32 3.86 4.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.943 . . . . 0.0 109.898 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 t -101.0 -20.31 15.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.167 -0.958 . . . . 0.0 109.252 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -80.48 149.99 69.49 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.138 -0.976 . . . . 0.0 109.568 179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -39.25 158.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.35 2.033 . . . . 0.0 112.455 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -60.66 -40.13 90.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.101 -0.999 . . . . 0.0 110.691 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.31 -50.08 74.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.603 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 12.6 mp0 -64.45 -36.85 85.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.919 -1.113 . . . . 0.0 108.751 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -58.97 -43.83 91.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.305 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.62 -39.99 95.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.69 -39.98 94.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 110.358 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.9 t -68.62 -43.99 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.721 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.08 -40.04 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.866 . . . . 0.0 109.561 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.152 -0.968 . . . . 0.0 108.578 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -64.95 -39.78 94.02 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -0.908 . . . . 0.0 109.106 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.01 -40.14 88.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.098 -1.002 . . . . 0.0 110.007 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.02 -40.57 99.08 Favored Glycine 0 N--CA 1.494 2.511 0 O-C-N 121.219 -0.926 . . . . 0.0 111.287 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 79' ' ' LEU . 4.2 pp -87.86 -2.18 58.45 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.873 -1.369 . . . . 0.0 110.206 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.452 ' N ' HD12 ' A' ' 79' ' ' LEU . 45.3 m -84.57 -10.94 56.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.94 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.492 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.2 m -78.67 163.79 25.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.164 -0.96 . . . . 0.0 109.386 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.7 mm -117.5 126.62 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.402 -0.811 . . . . 0.0 109.322 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.492 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 77.4 m95 -144.58 130.18 19.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.087 -1.008 . . . . 0.0 108.287 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -126.86 132.25 51.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.376 -0.827 . . . . 0.0 109.833 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.63 151.34 84.85 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.229 -0.919 . . . . 0.0 110.097 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.04 -31.71 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.593 2.195 . . . . 0.0 113.28 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -59.94 -40.79 90.18 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.991 -1.068 . . . . 0.0 108.719 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.72 -43.01 73.23 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 109.261 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.97 -51.32 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.102 -0.999 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.556 ' SD ' HG22 ' A' ' 32' ' ' VAL . 85.8 mtp -46.58 -31.21 2.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 110.403 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.99 -7.38 59.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.932 -1.105 . . . . 0.0 109.662 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.5 128.14 34.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.027 -1.046 . . . . 0.0 109.85 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -0.797 . . . . 0.0 109.503 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.18 -31.38 59.11 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -122.08 79.5 42.95 Favored Pre-proline 0 N--CA 1.501 2.125 0 O-C-N 121.276 -1.132 . . . . 0.0 109.23 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -84.31 173.7 8.57 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 123.109 2.539 . . . . 0.0 112.568 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.08 166.65 32.88 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 p -70.08 -169.62 0.29 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.142 -1.211 . . . . 0.0 108.808 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.556 HG22 ' SD ' ' A' ' 23' ' ' MET . 63.7 t -54.61 -45.23 71.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.691 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.91 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.688 -1.257 . . . . 0.0 109.965 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.14 -40.92 84.89 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.5 t -63.83 -41.65 93.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.464 -1.021 . . . . 0.0 108.582 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 40' ' ' ASN . 32.3 m80 -62.66 -28.79 70.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.545 -0.722 . . . . 0.0 109.164 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -58.85 -49.99 75.68 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 38' ' ' ARG . 47.1 mtt-85 -62.79 -39.95 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.822 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -84.06 -2.55 56.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.429 -0.794 . . . . 0.0 110.498 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' HIS . 21.6 t-20 -76.58 -50.9 12.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.922 -1.111 . . . . 0.0 108.599 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -46.82 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 121.319 0.58 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -79.85 148.42 31.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.4 64.48 4.16 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 26.6 m0 -63.87 152.69 39.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.388 -1.066 . . . . 0.0 109.004 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.14 128.12 34.77 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -132.6 150.21 52.19 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.274 -0.891 . . . . 0.0 110.926 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -149.51 171.61 16.34 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 9.7 ptmm? -146.86 110.3 4.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.763 -1.21 . . . . 0.0 110.727 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.86 167.03 19.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' GLU . 48.1 mp0 -65.3 138.04 57.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.768 -1.207 . . . . 0.0 108.743 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.29 121.27 5.37 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.32 -90.98 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -1.117 . . . . 0.0 108.47 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -95.6 -25.08 16.3 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.978 -1.076 . . . . 0.0 108.111 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.34 175.94 24.04 Favored Glycine 0 N--CA 1.497 2.733 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -81.27 121.21 5.35 Favored Glycine 0 N--CA 1.494 2.505 0 O-C-N 121.217 -1.166 . . . . 0.0 110.358 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 55' ' ' GLY . 52.0 mtmt 54.97 118.69 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.721 -0.87 . . . . 0.0 110.873 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.24 136.62 39.86 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.342 -0.848 . . . . 0.0 108.793 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.4 p -131.21 139.94 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.372 -0.83 . . . . 0.0 109.539 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 55.4 mp0 -133.53 155.69 49.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.482 -0.761 . . . . 0.0 110.059 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.523 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.6 m-85 -119.95 139.91 51.73 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -87.72 110.39 20.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.822 -1.174 . . . . 0.0 108.873 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.16 -15.02 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.205 -0.935 . . . . 0.0 110.696 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 tpt -73.72 -9.25 58.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.307 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -109.23 -9.13 15.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.29 -0.881 . . . . 0.0 110.934 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.609 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.6 mtm -80.01 149.96 70.97 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 120.676 -1.265 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.66 164.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.319 2.012 . . . . 0.0 111.892 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -72.61 -34.87 67.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 110.113 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.59 -46.11 89.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.855 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.7 -39.95 95.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.854 -1.154 . . . . 0.0 108.871 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -59.98 -40.21 88.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.15 -0.969 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.08 87.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.617 -1.302 . . . . 0.0 109.189 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -67.0 -37.6 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.447 -0.783 . . . . 0.0 109.85 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.14 -46.41 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 109.915 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.97 -39.96 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.219 -0.926 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.47 -40.27 82.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.995 -1.065 . . . . 0.0 109.519 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -66.76 -40.14 88.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 109.598 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.41 -39.94 89.17 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.501 -1.375 . . . . 0.0 107.951 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.61 -31.63 45.16 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 107.768 -2.133 . . . . 0.0 107.768 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 80' ' ' SER . 63.1 tp -84.29 166.6 17.33 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.416 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 75.7 m -66.36 131.47 46.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.72 -1.238 . . . . 0.0 109.668 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.186 -0.946 . . . . 0.0 109.143 179.762 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.44 ' HB3' ' HE1' ' A' ' 16' ' ' TRP . 1.4 m -79.47 166.29 22.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.078 -1.014 . . . . 0.0 109.118 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.0 mp -133.87 125.51 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.355 -0.84 . . . . 0.0 110.219 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 42.4 m95 -147.49 129.85 15.73 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.2 m -134.91 148.19 50.01 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.18 -0.95 . . . . 0.0 110.477 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.04 164.04 64.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.65 -26.94 75.76 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.185 1.923 . . . . 0.0 111.434 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.03 -43.29 95.42 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.79 -40.01 79.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.886 . . . . 0.0 108.759 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.84 -54.69 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.54 -0.725 . . . . 0.0 110.704 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -55.09 -19.94 8.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.683 -1.261 . . . . 0.0 109.712 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -9.96 59.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 129.32 34.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.739 -0.601 . . . . 0.0 109.653 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 26.7 p-10 -60.76 -25.2 66.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.178 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.57 -32.09 72.57 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmt -119.38 93.31 47.05 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.604 -0.939 . . . . 0.0 109.23 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.86 156.21 23.8 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.958 1.772 . . . . 0.0 111.947 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.28 160.02 16.19 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -74.82 -158.67 0.08 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.926 -1.338 . . . . 0.0 109.889 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 -55.9 20.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.26 93.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.84 -1.162 . . . . 0.0 109.685 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -43.18 54.12 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.161 -1.575 . . . . 0.0 109.161 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.01 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -1.161 . . . . 0.0 108.61 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 54.0 m80 -61.8 -38.58 88.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -54.0 -57.77 9.79 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.306 -0.871 . . . . 0.0 109.763 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.49 -39.85 85.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.846 -1.159 . . . . 0.0 109.433 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.03 35.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.328 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.67 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.893 -1.129 . . . . 0.0 109.735 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.32 -39.97 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 0.0 108.997 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -84.36 152.79 23.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.312 -0.868 . . . . 0.0 109.337 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.79 55.33 2.27 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 41.6 m0 -72.08 149.96 44.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.111 -1.229 . . . . 0.0 109.284 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -76.99 130.68 37.81 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -134.43 157.42 46.5 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.339 -0.851 . . . . 0.0 110.976 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 32.1 ptt180 -143.92 121.43 11.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -83.9 131.11 34.89 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 0.0 111.345 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 50' ' ' GLU . 45.5 mtpt -88.28 94.83 9.96 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' LYS . 79.8 mm-40 54.73 168.04 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 139.79 41.47 Favored Glycine 0 N--CA 1.498 2.815 0 O-C-N 120.793 -1.192 . . . . 0.0 110.896 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.8 t -114.74 127.5 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.355 -1.086 . . . . 0.0 110.032 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -155.21 -48.75 0.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -28.99 0.73 Allowed Glycine 0 N--CA 1.498 2.792 0 N-CA-C 108.277 -1.929 . . . . 0.0 108.277 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -133.14 -156.71 8.18 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 55' ' ' GLY . 59.6 mttm 52.1 -179.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.328 . . . . 0.0 108.621 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.1 -169.94 0.92 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.372 -1.455 . . . . 0.0 112.569 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 59' ' ' GLU . 6.0 p -136.55 160.88 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 96.5 mt-10 -131.21 154.81 48.03 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.083 -1.011 . . . . 0.0 111.017 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 23.7 m-85 -124.72 140.02 53.32 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 30.2 p-10 -96.15 131.1 42.95 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.85 -1.156 . . . . 0.0 110.282 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 16.1 t -69.16 -20.01 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.425 -0.797 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.4 tpt -70.01 -9.91 56.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.507 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.406 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 91.5 p -107.45 -11.54 15.49 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.186 -0.946 . . . . 0.0 109.982 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.599 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 6.9 mtm -78.69 139.11 58.23 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.976 -1.078 . . . . 0.0 109.656 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.56 166.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.79 1.66 . . . . 0.0 112.116 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 p -64.93 -39.18 93.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.176 -0.952 . . . . 0.0 110.973 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.07 -48.54 75.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.811 -1.181 . . . . 0.0 109.606 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 1.3 mp0 -64.86 -38.61 91.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.974 -1.079 . . . . 0.0 108.822 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 62' ' ' VAL . 23.9 ttm-85 -59.33 -42.71 92.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.426 -0.796 . . . . 0.0 109.7 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 108.904 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.85 -32.98 74.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.557 -0.715 . . . . 0.0 110.689 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.671 -1.268 . . . . 0.0 109.278 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.02 -39.74 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.33 88.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.522 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -60.76 -48.85 79.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -0.999 . . . . 0.0 109.533 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 77' ' ' LEU . 7.3 mp -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.063 -1.023 . . . . 0.0 109.064 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -35.81 68.92 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 80' ' ' SER . 1.4 pp -80.71 168.97 18.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.899 -1.354 . . . . 0.0 109.271 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.564 ' O ' HD12 ' A' ' 79' ' ' LEU . 47.5 t -53.96 134.5 43.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.079 -1.013 . . . . 0.0 110.329 -178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.301 -1.533 0 O-C-N 121.43 -0.793 . . . . 0.0 109.492 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 m -79.88 166.85 21.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.93 . . . . 0.0 108.929 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -129.94 130.04 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -140.04 135.39 32.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.7 m -129.97 137.63 50.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.289 -0.882 . . . . 0.0 110.106 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -72.36 154.46 91.89 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.44 -34.1 60.0 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.932 1.755 . . . . 0.0 111.926 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.08 -44.99 94.38 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.042 -1.036 . . . . 0.0 108.345 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.06 -40.37 89.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.208 -0.932 . . . . 0.0 108.552 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.12 -47.2 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 108.81 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 89.5 mtp -48.47 -20.33 0.41 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.023 -1.048 . . . . 0.0 109.773 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.77 -10.09 59.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 109.385 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.83 124.17 32.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.386 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 39.2 p-10 -61.01 -38.25 85.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 0.0 109.878 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -55.8 -21.3 29.22 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mtt -123.82 80.06 56.47 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.291 -1.123 . . . . 0.0 109.33 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.58 167.26 17.14 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.952 2.435 . . . . 0.0 113.134 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.09 27.76 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.9 p -71.14 -168.54 0.3 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.304 -1.115 . . . . 0.0 108.737 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.07 -46.79 84.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 109.894 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.7 87.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.842 -1.161 . . . . 0.0 109.678 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.68 90.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.63 -40.3 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.247 -1.149 . . . . 0.0 108.549 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.552 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 23.9 m80 -62.18 -39.23 91.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.54 -0.725 . . . . 0.0 109.849 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.78 -49.86 75.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.312 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 38' ' ' ARG . 32.2 ttt-85 -60.76 -49.85 75.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.07 -1.019 . . . . 0.0 109.362 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.97 11.04 2.9 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.387 -0.821 . . . . 0.0 110.291 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -73.24 -40.17 64.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.994 . . . . 0.0 109.445 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.34 -46.59 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.548 -0.72 . . . . 0.0 109.66 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -85.92 156.41 20.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.431 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 68.77 0.72 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 29.0 m0 -58.08 158.29 7.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.387 -1.067 . . . . 0.0 109.82 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 m -75.87 120.01 20.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -133.87 148.65 51.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.69 -0.631 . . . . 0.0 110.172 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.83 146.0 30.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.348 -0.845 . . . . 0.0 108.917 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -87.72 115.75 25.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.389 -0.819 . . . . 0.0 110.196 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 51' ' ' GLY . 88.5 tttt -92.6 124.21 36.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.275 -0.891 . . . . 0.0 109.125 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.88 26.45 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 49' ' ' LYS . . . -58.94 -66.15 2.99 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.51 140.02 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -1.149 . . . . 0.0 109.845 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -83.49 129.56 34.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 109.19 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.95 -33.26 2.41 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.25 -30.81 56.46 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 57.89 76.09 0.35 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.379 -1.071 . . . . 0.0 109.022 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . . . -64.77 144.0 57.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.856 . . . . 0.0 109.498 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.59 154.6 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.763 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -134.13 157.67 45.58 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.552 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.3 m-85 -127.29 144.51 51.03 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -90.72 117.1 29.09 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.905 -1.122 . . . . 0.0 108.758 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.18 -28.09 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.01 -1.056 . . . . 0.0 110.259 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.3 mmm -71.32 7.24 1.39 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.076 -1.015 . . . . 0.0 110.265 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.5 m -114.09 -16.66 12.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.373 -0.83 . . . . 0.0 109.912 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.8 mtm -80.0 146.05 62.63 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.075 -1.015 . . . . 0.0 110.504 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -42.29 161.57 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.18 1.92 . . . . 0.0 112.166 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.456 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 91.2 m -61.07 -39.95 91.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.137 -0.977 . . . . 0.0 110.356 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.86 -47.73 83.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.997 -1.065 . . . . 0.0 110.051 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.5 -41.04 89.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 85.9 mtm180 -60.11 -40.11 88.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.209 -0.932 . . . . 0.0 109.834 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.975 -1.078 . . . . 0.0 109.729 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -34.74 78.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.94 -49.98 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.99 -1.069 . . . . 0.0 109.815 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.3 mp -61.55 -42.22 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.909 -1.119 . . . . 0.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 109.509 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -59.94 -48.66 80.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.102 -0.999 . . . . 0.0 108.562 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.26 -39.87 88.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.04 -14.73 6.0 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.37 -9.1 59.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.019 -1.283 . . . . 0.0 108.784 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -137.62 -24.6 1.04 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.399 -0.813 . . . . 0.0 109.35 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 109.395 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.44 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.1 m -80.39 164.98 22.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.12 -0.988 . . . . 0.0 109.478 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 89.5 mt -131.83 130.25 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.463 -0.773 . . . . 0.0 108.915 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 49.2 m95 -141.69 133.95 27.9 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.911 . . . . 0.0 108.942 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.7 m -134.66 148.03 50.27 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.31 -0.869 . . . . 0.0 110.493 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.84 170.01 18.36 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.35 -29.7 16.55 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.903 1.735 . . . . 0.0 111.461 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.07 -46.6 89.02 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.68 -41.06 94.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.437 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 92.7 mt -69.77 -41.97 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.3 mmm -50.03 -20.38 0.94 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.144 -0.972 . . . . 0.0 109.598 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.05 -9.97 59.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.011 -1.056 . . . . 0.0 109.392 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.55 119.09 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.137 -0.977 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' MET . 48.1 t0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.145 -0.972 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.42 -12.88 0.64 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.437 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 3.7 mtt -130.01 82.38 66.48 Favored Pre-proline 0 N--CA 1.503 2.183 0 O-C-N 121.259 -1.142 . . . . 0.0 109.512 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.71 168.07 19.89 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.659 2.239 . . . . 0.0 113.098 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.01 159.42 24.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 p -70.96 -166.97 0.17 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.924 -1.339 . . . . 0.0 108.617 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.7 -49.23 81.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.922 -1.111 . . . . 0.0 108.458 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.85 85.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.952 -1.093 . . . . 0.0 109.391 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.73 -39.91 87.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -63.45 -41.49 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -1.169 . . . . 0.0 108.262 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 33.7 m80 -60.15 -36.84 78.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.54 -0.725 . . . . 0.0 109.631 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.73 -48.27 80.08 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.338 -0.851 . . . . 0.0 109.135 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.74 -45.48 89.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.905 -1.122 . . . . 0.0 108.57 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.65 0.42 12.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.386 -0.821 . . . . 0.0 109.59 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.11 -47.46 28.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.164 -0.96 . . . . 0.0 108.774 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -41.28 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.666 -0.646 . . . . 0.0 109.71 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -79.99 159.37 26.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 0.0 109.741 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.06 62.43 1.05 Allowed Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CZ2' ' SD ' ' A' ' 65' ' ' MET . 14.3 m0 -67.65 147.61 52.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -1.119 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -76.77 122.99 25.53 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -130.26 152.02 50.13 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.502 -0.749 . . . . 0.0 109.92 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.601 HH11 ' CB ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -147.09 133.11 19.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.853 . . . . 0.0 109.35 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -94.62 142.01 27.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.599 -0.688 . . . . 0.0 110.832 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -146.59 152.41 38.89 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.287 -0.883 . . . . 0.0 110.27 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 60.03 39.98 19.23 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.879 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.19 73.38 0.26 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 55' ' ' GLY . 3.7 p -75.06 118.27 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.357 -1.084 . . . . 0.0 111.132 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -97.94 -10.71 24.08 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 55' ' ' GLY . . . 170.91 -2.15 0.03 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -162.05 -114.47 0.33 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 50.16 -138.0 1.02 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.13 -1.217 . . . . 0.0 110.48 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.56 120.2 29.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.707 -1.246 . . . . 0.0 111.747 -177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 t -141.85 137.31 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -135.23 146.02 48.22 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 120.788 -1.195 . . . . 0.0 111.417 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 84.2 m-85 -127.7 139.34 52.76 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -92.49 109.89 21.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.529 -1.357 . . . . 0.0 108.912 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.489 HG23 ' CE ' ' A' ' 65' ' ' MET . 9.8 p -67.47 -23.89 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.231 -0.918 . . . . 0.0 110.516 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.1 tpp -70.92 -10.93 60.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 110.629 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.7 t -99.41 -12.85 19.88 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.743 -1.223 . . . . 0.0 109.383 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.539 ' SD ' ' CZ2' ' A' ' 44' ' ' TRP . 20.8 ttp -81.58 130.65 60.73 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.222 -0.923 . . . . 0.0 108.654 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 65' ' ' MET . 28.6 Cg_exo -35.95 157.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.12 1.88 . . . . 0.0 112.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.5 m -62.44 -39.99 95.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 111.912 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -51.19 -59.59 4.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.683 -1.26 . . . . 0.0 110.884 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.3 mp0 -62.92 -37.65 87.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.645 -1.284 . . . . 0.0 110.154 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -59.2 -40.62 86.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.043 -1.036 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -60.02 -40.79 90.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -64.35 -39.4 93.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.976 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.03 -42.76 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.973 -1.08 . . . . 0.0 109.137 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.19 -39.9 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.09 -1.006 . . . . 0.0 109.099 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.0 65.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 108.819 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -64.27 -36.37 83.88 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.847 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.53 -35.18 61.12 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.94 170.01 13.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.441 -1.035 . . . . 0.0 108.768 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m -59.05 131.7 51.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.068 -1.02 . . . . 0.0 108.706 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.101 -1.0 . . . . 0.0 109.475 -179.624 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 tttm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.422 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m -159.85 164.54 33.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.131 -0.981 . . . . 0.0 109.128 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.457 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 84.1 mt -133.5 134.09 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 60.7 m95 -146.11 131.65 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.216 -0.927 . . . . 0.0 108.845 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -132.73 148.39 52.33 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.406 -0.809 . . . . 0.0 110.329 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.48 167.45 32.78 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.09 -24.46 32.7 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.836 1.69 . . . . 0.0 111.411 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.0 -41.7 77.46 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.07 -48.86 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.375 -0.828 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -51.59 -27.5 11.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.169 -0.957 . . . . 0.0 110.651 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.3 -7.03 58.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.685 -1.259 . . . . 0.0 109.234 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.9 124.77 30.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.008 -1.058 . . . . 0.0 109.587 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -62.78 -26.63 68.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.446 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.64 52.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmt -131.54 80.02 67.87 Favored Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.561 -0.964 . . . . 0.0 108.623 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.28 156.1 37.3 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.098 1.866 . . . . 0.0 112.532 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.79 159.18 11.23 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.7 p -70.9 -164.13 0.09 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.906 -1.349 . . . . 0.0 109.148 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.85 -54.91 23.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 108.448 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.93 93.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.51 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.48 -42.37 43.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.61 -42.28 95.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 51.9 m80 -61.0 -36.85 80.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.708 -0.62 . . . . 0.0 109.618 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -59.75 -50.13 75.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 110.33 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.39 -40.07 93.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.973 -1.079 . . . . 0.0 108.811 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.46 -0.93 19.06 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.408 -0.807 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.01 -52.18 10.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.248 -0.908 . . . . 0.0 109.463 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.91 -40.03 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.218 -0.926 . . . . 0.0 109.114 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -76.84 154.77 33.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.187 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.56 63.6 1.61 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 15.1 m0 -69.44 150.9 46.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.157 -1.202 . . . . 0.0 109.211 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 126.01 30.18 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -134.43 150.59 50.86 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.411 -0.806 . . . . 0.0 110.535 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -143.93 133.45 23.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.494 -0.753 . . . . 0.0 109.223 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' A' ' 48' ' ' LYS . 17.4 pttp -89.67 109.55 20.51 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.544 0.688 . . . . 0.0 109.71 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -88.68 109.45 20.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.866 -1.146 . . . . 0.0 109.391 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.92 149.39 34.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.777 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 114.19 0.01 OUTLIER Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 52' ' ' VAL . 7.3 p -172.86 33.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.492 -1.004 . . . . 0.0 108.705 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 57.87 19.52 5.81 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.03 -46.59 0.02 OUTLIER Glycine 0 N--CA 1.49 2.284 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.588 ' H ' ' CG1' ' A' ' 52' ' ' VAL . . . 87.21 160.11 34.78 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt 55.05 42.84 30.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.451 -1.029 . . . . 0.0 110.417 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.32 149.41 40.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.105 -0.997 . . . . 0.0 108.938 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.28 133.41 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 109.317 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -132.29 153.67 50.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.459 -0.776 . . . . 0.0 109.443 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 82.6 m-85 -124.12 140.16 53.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 109.34 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.74 111.51 23.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.235 -0.915 . . . . 0.0 109.309 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.51 -19.53 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.429 ' HA ' HH12 ' A' ' 70' ' ' ARG . 96.4 mmm -70.48 -3.58 18.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 109.323 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 p -109.96 -18.64 13.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.434 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 32.1 mtt -79.97 150.1 71.33 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.221 -0.925 . . . . 0.0 109.74 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.72 158.52 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.957 1.771 . . . . 0.0 111.823 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -63.59 -40.12 96.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 109.772 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.83 -42.39 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.931 . . . . 0.0 109.052 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.064 -1.022 . . . . 0.0 108.771 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.429 HH12 ' HA ' ' A' ' 63' ' ' MET . 24.3 ttm-85 -59.92 -44.74 94.12 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.453 0.644 . . . . 0.0 109.426 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.17 -39.98 88.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.689 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -63.06 -39.38 94.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 0.0 109.434 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.36 -45.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 108.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.13 -39.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.423 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.07 68.12 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.937 -1.102 . . . . 0.0 108.127 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -62.97 -41.25 99.49 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.0 -39.02 93.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.17 27.04 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.33 -7.53 59.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.165 -1.197 . . . . 0.0 108.492 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.8 m -101.75 -0.19 34.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.446 -0.784 . . . . 0.0 109.351 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 -179.762 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.8 m -79.8 164.83 23.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.417 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 19.6 tt -131.14 130.35 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 CA-C-O 121.675 0.75 . . . . 0.0 109.888 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.472 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.4 m95 -144.99 129.53 17.98 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 m -133.43 143.19 48.71 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.161 -0.962 . . . . 0.0 111.247 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 m -77.92 152.48 79.91 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.02 -33.56 2.28 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.477 2.118 . . . . 0.0 113.4 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.84 -45.86 91.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.804 -1.185 . . . . 0.0 108.123 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.87 -42.46 97.51 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.468 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.33 -48.52 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.975 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -51.1 -20.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.87 -1.144 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.26 -10.08 59.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.047 -1.033 . . . . 0.0 109.265 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.12 121.52 28.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -0.926 . . . . 0.0 108.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.21 -39.88 88.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 110.149 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.74 -16.46 23.65 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mtt -125.82 76.81 70.67 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.475 -1.015 . . . . 0.0 108.401 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -84.26 175.66 7.17 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.264 2.643 . . . . 0.0 113.432 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 165.67 38.4 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -71.52 -170.8 0.56 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.086 -1.243 . . . . 0.0 108.386 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.35 -41.11 60.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.91 -1.119 . . . . 0.0 109.521 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.74 86.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.758 -1.214 . . . . 0.0 109.273 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.16 97.72 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.34 -43.31 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.541 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 26.0 m80 -60.81 -33.17 72.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.832 -0.542 . . . . 0.0 109.806 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.136 -0.978 . . . . 0.0 109.482 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -65.46 -40.69 93.49 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.669 -1.212 . . . . 0.0 108.006 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -0.93 19.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.674 -0.641 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -75.24 -52.31 11.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 108.448 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.03 -41.16 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' CB ' ' HE1' ' A' ' 44' ' ' TRP . 95.9 mm-40 -84.8 152.88 23.33 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.329 -0.857 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.23 70.49 0.29 Allowed Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 4.3 m0 -67.5 170.79 6.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.954 -1.321 . . . . 0.0 108.08 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.462 ' H ' ' CB ' ' A' ' 64' ' ' SER . 1.3 m -73.61 131.7 41.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -135.85 160.04 39.8 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -144.27 101.36 3.69 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -88.15 141.73 28.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.489 -0.757 . . . . 0.0 110.458 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.645 ' HB2' ' H ' ' A' ' 57' ' ' ALA . 24.1 mttm -148.84 88.98 1.64 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 35.1 mp0 45.34 -161.49 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.48 161.12 35.13 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.551 ' O ' ' CB ' ' A' ' 53' ' ' LYS . 24.8 t -80.94 142.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.154 -1.204 . . . . 0.0 108.982 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 52' ' ' VAL . 50.6 tttp 99.88 149.96 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.9 26.84 73.19 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.896 -1.681 . . . . 0.0 108.896 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.85 178.5 34.92 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 57.67 -173.81 0.08 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.379 -1.071 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.645 ' H ' ' HB2' ' A' ' 49' ' ' LYS . . . -178.63 173.6 1.29 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 122.217 1.008 . . . . 0.0 111.5 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -140.41 122.66 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.18 160.73 39.11 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.854 -1.154 . . . . 0.0 112.508 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.541 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 53.0 m-85 -128.35 143.13 50.97 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -99.76 124.17 44.76 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.856 -1.152 . . . . 0.0 110.036 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.27 -30.0 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.404 -0.81 . . . . 0.0 111.822 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.1 mmt -70.58 14.27 0.14 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.896 -1.127 . . . . 0.0 111.583 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.462 ' CB ' ' H ' ' A' ' 45' ' ' THR . 18.4 m -117.27 -24.77 7.31 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.245 -0.91 . . . . 0.0 110.029 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 66' ' ' PRO . 9.8 ptp -80.54 151.8 72.08 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.118 -0.989 . . . . 0.0 109.659 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' MET . 11.8 Cg_exo -40.62 167.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.032 1.821 . . . . 0.0 111.788 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -70.0 -29.41 66.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 110.15 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.8 -50.07 73.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.087 -1.008 . . . . 0.0 110.139 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 49.7 mp0 -69.09 -31.83 70.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.913 -1.117 . . . . 0.0 109.477 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.89 -41.45 91.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.122 -0.986 . . . . 0.0 109.243 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -40.03 94.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 109.481 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -59.89 -39.83 86.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.321 -0.862 . . . . 0.0 109.348 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.96 -46.61 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.795 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.14 -40.12 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.13 -0.982 . . . . 0.0 110.381 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.34 93.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.019 -1.051 . . . . 0.0 110.4 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.75 -44.66 95.63 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.83 -1.169 . . . . 0.0 108.415 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.56 -39.93 88.76 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.97 -8.93 31.55 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.584 -1.806 . . . . 0.0 108.584 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.64 -70.09 0.59 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.602 -0.94 . . . . 0.0 108.655 179.781 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.4 p -78.57 -53.53 7.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.192 -0.942 . . . . 0.0 110.546 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.931 0 O-C-N 121.007 -1.058 . . . . 0.0 109.723 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.478 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.7 m -81.77 167.44 19.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -0.848 . . . . 0.0 109.664 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.9 mp -133.94 131.24 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.344 -0.848 . . . . 0.0 109.157 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 46.6 m95 -146.04 130.92 18.13 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -139.8 151.77 46.01 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.096 -1.003 . . . . 0.0 111.199 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.64 161.25 76.97 Favored Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.57 -25.4 78.69 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.398 2.065 . . . . 0.0 112.341 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.99 -43.95 94.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.574 -1.329 . . . . 0.0 108.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.47 -42.91 97.21 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.446 HG23 ' SD ' ' A' ' 28' ' ' MET . 80.6 mt -66.8 -48.81 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.425 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.564 ' SD ' HG22 ' A' ' 32' ' ' VAL . 90.4 mtp -47.76 -22.91 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.808 -1.183 . . . . 0.0 110.849 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.76 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.797 -1.189 . . . . 0.0 110.223 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.19 128.73 34.78 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.093 -1.004 . . . . 0.0 109.435 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.75 -39.89 93.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.2 -11.72 10.03 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.446 ' SD ' HG23 ' A' ' 22' ' ' ILE . 16.6 mtt -129.34 77.2 77.86 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -1.161 . . . . 0.0 108.483 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -84.89 170.33 9.97 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 123.148 2.565 . . . . 0.0 113.792 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.39 163.98 31.91 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -69.83 -167.56 0.15 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.024 -1.28 . . . . 0.0 108.827 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG22 ' SD ' ' A' ' 23' ' ' MET . 60.5 t -55.19 -43.79 72.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.649 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.94 82.04 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.849 -1.157 . . . . 0.0 109.21 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.11 98.02 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.22 -41.6 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.956 -1.32 . . . . 0.0 107.987 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 31.5 m80 -61.71 -31.4 71.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.23 -40.97 83.06 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' O ' ' OE1' ' A' ' 42' ' ' GLN . 13.0 mmm180 -61.85 -44.19 97.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.146 -0.971 . . . . 0.0 109.412 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.8 3.42 25.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.17 -0.956 . . . . 0.0 110.128 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -78.21 -50.19 12.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.023 -1.048 . . . . 0.0 109.448 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.45 -49.0 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.558 -0.714 . . . . 0.0 109.717 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 38' ' ' ARG . 28.1 mp0 -83.19 151.55 25.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.247 -0.908 . . . . 0.0 109.911 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.51 65.37 2.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -59.93 159.69 8.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.303 -1.116 . . . . 0.0 108.846 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.3 m -77.35 118.06 19.45 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -129.64 150.37 50.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.582 -177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -140.45 122.6 15.76 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -87.89 118.03 27.14 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.102 -0.999 . . . . 0.0 109.451 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -89.49 116.58 27.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.229 -0.919 . . . . 0.0 109.915 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 52.4 39.58 27.8 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.99 177.56 3.76 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 52' ' ' VAL . 5.4 p -166.54 121.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.957 -1.32 . . . . 0.0 110.086 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -143.1 -32.6 0.47 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.265 -0.897 . . . . 0.0 108.851 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.02 5.36 0.08 OUTLIER Glycine 0 N--CA 1.488 2.137 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.51 -153.84 6.7 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt 49.84 -144.2 0.51 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.917 -1.343 . . . . 0.0 108.387 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -171.85 171.92 4.99 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 117.784 -1.566 . . . . 0.0 111.69 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.86 156.31 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -130.99 155.95 45.94 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.107 -0.996 . . . . 0.0 111.222 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.533 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.8 m-85 -127.54 142.39 51.39 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -99.87 115.79 30.44 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.089 -1.007 . . . . 0.0 109.308 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -66.4 -13.13 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.585 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.8 mtp -73.74 -8.26 55.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.863 -1.148 . . . . 0.0 110.655 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -106.34 -18.49 13.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.166 -0.959 . . . . 0.0 109.421 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 mtp -80.28 146.88 63.26 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.407 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.25 170.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.508 1.472 . . . . 0.0 111.467 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.9 p -71.62 -34.15 69.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.442 -0.786 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.39 -49.71 76.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.991 -1.068 . . . . 0.0 110.624 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -65.73 -40.17 91.89 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.681 -1.262 . . . . 0.0 110.271 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.84 -46.35 89.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.962 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.12 -36.34 77.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.64 -39.92 94.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.12 -0.987 . . . . 0.0 111.023 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -68.75 -51.79 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.836 -1.165 . . . . 0.0 110.313 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.6 mp -59.97 -38.49 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.042 . . . . 0.0 108.635 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.64 92.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.872 . . . . 0.0 109.936 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -65.21 -40.02 93.56 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.976 -1.078 . . . . 0.0 109.183 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.59 -39.86 95.08 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.667 -1.27 . . . . 0.0 108.472 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.38 -14.8 62.64 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 tp -88.45 82.23 7.02 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.413 -1.051 . . . . 0.0 108.943 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' THR . 46.8 t 55.0 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.457 -0.777 . . . . 0.0 109.717 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 80' ' ' SER . 31.9 m . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.723 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -79.71 159.99 26.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.199 -0.938 . . . . 0.0 109.605 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.6 mt -130.07 130.16 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -140.28 137.17 33.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.388 -0.82 . . . . 0.0 108.876 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.7 m -136.23 148.89 48.29 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.05 164.0 64.22 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 108.737 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.92 -34.89 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.98 -44.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.004 -1.06 . . . . 0.0 108.855 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -42.1 99.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.0 109.209 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -70.56 -51.12 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 0.0 109.67 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 23' ' ' MET . 6.5 tmm? -49.91 -20.12 0.83 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.14 -5.48 56.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.858 -1.151 . . . . 0.0 108.538 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.65 127.99 33.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.529 -0.732 . . . . 0.0 109.228 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.2 p-10 -60.12 -38.93 84.51 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.328 -0.857 . . . . 0.0 110.177 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -57.33 -14.84 13.63 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.487 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 22.6 mtt -129.25 82.08 68.97 Favored Pre-proline 0 N--CA 1.499 1.989 0 O-C-N 121.372 -1.075 . . . . 0.0 108.897 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.17 166.17 14.51 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.867 2.378 . . . . 0.0 113.165 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.19 162.85 27.52 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 -168.47 0.18 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.792 -1.417 . . . . 0.0 108.256 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.57 -44.36 80.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.09 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.64 85.9 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.978 -1.076 . . . . 0.0 109.562 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.89 91.25 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.0 t -62.25 -41.5 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -1.187 . . . . 0.0 108.169 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.1 m80 -62.6 -39.67 94.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.776 -0.578 . . . . 0.0 110.235 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -55.57 -45.63 77.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.842 -1.161 . . . . 0.0 108.35 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -62.03 -48.33 80.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.0 109.021 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 3.98 1.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.438 -0.789 . . . . 0.0 110.208 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.73 -47.49 53.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.21 -43.95 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.602 -0.686 . . . . 0.0 109.635 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -84.88 151.95 23.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.316 -0.865 . . . . 0.0 109.979 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.2 65.85 0.36 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -58.82 150.38 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.034 -1.274 . . . . 0.0 108.712 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 45' ' ' THR . 9.8 t -78.63 127.98 32.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 108.244 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -126.24 152.07 46.59 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.47 0.653 . . . . 0.0 109.975 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -140.83 130.6 24.31 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.03 107.75 19.31 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.136 -0.977 . . . . 0.0 109.52 -179.215 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -88.73 128.56 35.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.158 -0.964 . . . . 0.0 108.955 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.663 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 7.1 pm0 -77.94 158.49 29.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.176 -0.953 . . . . 0.0 110.158 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.31 -146.43 33.14 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.908 HG12 ' H ' ' A' ' 53' ' ' LYS . 32.7 t 59.13 -170.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.626 -0.926 . . . . 0.0 108.839 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.908 ' H ' HG12 ' A' ' 52' ' ' VAL . 20.9 tptm -61.93 139.98 58.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.882 -1.136 . . . . 0.0 109.692 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.96 -119.44 4.87 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' A' ' 56' ' ' LYS . . . -169.15 -4.75 0.03 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' H ' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -146.24 67.72 1.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.462 -1.022 . . . . 0.0 108.928 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.15 144.67 53.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 109.691 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -130.43 143.4 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -130.69 159.56 36.87 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 37.8 m-85 -125.75 140.51 52.63 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -79.09 123.11 27.03 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.863 -1.148 . . . . 0.0 109.274 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.12 -36.29 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.72 5.39 2.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 0.0 110.448 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -104.98 -21.94 13.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.261 -0.899 . . . . 0.0 110.107 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptp -80.12 152.21 73.66 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.002 -1.061 . . . . 0.0 108.982 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.39 169.04 0.23 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.123 1.882 . . . . 0.0 111.92 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -68.39 -36.83 79.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.321 -0.862 . . . . 0.0 111.437 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.65 -49.51 76.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.727 -1.233 . . . . 0.0 109.631 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.83 -37.68 84.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.891 -1.131 . . . . 0.0 109.356 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.7 -42.82 89.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.598 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.92 87.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.838 -1.164 . . . . 0.0 108.951 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -64.61 -39.6 94.01 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 109.224 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.45 -48.99 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.199 -0.938 . . . . 0.0 109.151 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.97 81.44 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.054 -1.029 . . . . 0.0 109.159 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -60.29 -50.03 75.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.011 -1.055 . . . . 0.0 109.201 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 77' ' ' LEU . 7.9 mp -70.45 -29.98 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.058 -1.026 . . . . 0.0 108.986 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -38.28 94.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 pp -87.31 -11.1 50.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.263 . . . . 0.0 110.002 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -95.23 -0.57 52.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.136 -0.977 . . . . 0.0 109.12 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.298 -1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.288 179.541 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -79.48 159.58 26.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.559 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.8 mm -121.61 132.08 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -142.78 130.37 21.33 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.1 m -136.29 148.25 47.88 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.141 -0.974 . . . . 0.0 110.932 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 158.94 82.94 Favored Pre-proline 0 N--CA 1.497 1.903 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.61 -24.89 64.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.329 2.019 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.21 -44.63 94.99 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -62.33 -42.16 99.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.16 -45.9 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.4 mmm -51.2 -20.43 1.56 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 76' ' ' HIS . . . -79.44 -10.29 59.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.827 -1.17 . . . . 0.0 109.622 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.02 122.59 31.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.259 -0.901 . . . . 0.0 109.113 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -60.19 -39.61 87.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -0.929 . . . . 0.0 109.448 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.17 -21.25 3.95 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -121.01 79.16 33.21 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.098 -1.236 . . . . 0.0 109.281 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.92 167.2 22.42 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.879 2.386 . . . . 0.0 113.095 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.52 160.23 23.08 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 p -70.75 -165.39 0.11 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.759 -1.436 . . . . 0.0 108.505 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.48 -48.46 85.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.007 -1.058 . . . . 0.0 109.429 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.34 90.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.808 -1.182 . . . . 0.0 110.335 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.98 91.06 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.36 -39.54 81.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.534 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 27.6 m80 -69.9 -24.7 63.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.694 -0.629 . . . . 0.0 109.867 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -59.82 -52.55 64.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.974 -1.079 . . . . 0.0 109.942 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -69.84 -34.93 74.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.145 -0.972 . . . . 0.0 110.432 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.62 -8.38 56.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 0.0 110.189 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -72.89 -44.19 61.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.147 -0.971 . . . . 0.0 109.659 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.23 -44.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -82.22 151.79 26.69 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.916 . . . . 0.0 109.6 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.64 61.86 3.45 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -58.21 156.25 10.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.162 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.2 m -78.33 114.3 17.1 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -132.36 157.19 45.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.303 -0.873 . . . . 0.0 109.883 -177.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -144.78 124.08 13.02 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 108.816 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.1 100.29 13.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.134 -0.979 . . . . 0.0 109.898 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -88.8 134.99 33.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.951 -1.093 . . . . 0.0 109.328 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 65.32 39.11 5.46 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.438 0.637 . . . . 0.0 109.727 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.66 78.59 0.07 OUTLIER Glycine 0 N--CA 1.498 2.787 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.2 m -82.65 131.57 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.227 -1.161 . . . . 0.0 111.064 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -110.01 -1.17 17.77 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.53 18.18 0.04 OUTLIER Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.78 -126.99 0.97 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 49.41 -140.1 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.185 -1.185 . . . . 0.0 109.938 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.05 105.96 16.38 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.821 -1.174 . . . . 0.0 110.882 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 p -125.17 132.77 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -129.36 150.62 50.65 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 121.956 0.884 . . . . 0.0 111.455 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 66.2 m-85 -124.2 137.68 54.5 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' SD ' ' A' ' 65' ' ' MET . 59.8 t0 -92.7 110.11 21.54 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.886 -1.133 . . . . 0.0 109.092 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 64' ' ' SER . 85.1 t -64.38 -33.97 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.181 -0.95 . . . . 0.0 110.641 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.538 ' SD ' ' NH2' ' A' ' 70' ' ' ARG . 80.0 mmm -69.58 14.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.188 . . . . 0.0 110.218 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 62' ' ' VAL . 15.2 t -113.08 -24.55 9.4 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.446 -0.783 . . . . 0.0 109.765 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 65' ' ' MET . 2.2 mpt? -79.91 151.59 73.63 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.014 -1.054 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' MET . 91.2 Cg_exo -40.5 166.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.729 1.619 . . . . 0.0 111.65 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -68.97 -31.8 70.92 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 110.334 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.61 -50.79 72.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.528 -1.358 . . . . 0.0 110.722 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -68.17 -39.86 82.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.601 -1.312 . . . . 0.0 109.99 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.538 ' NH2' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 109.681 -179.442 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.72 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.76 -37.03 85.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.061 -1.024 . . . . 0.0 110.301 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.46 -48.49 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.922 -1.111 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.49 -40.82 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.987 -1.071 . . . . 0.0 109.235 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.74 81.63 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.129 -0.982 . . . . 0.0 109.512 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 24' ' ' ALA . 54.1 t-80 -60.51 -38.53 84.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.104 -0.997 . . . . 0.0 108.628 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.41 -15.15 43.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.045 . . . . 0.0 108.967 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.71 43.31 1.31 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 80' ' ' SER . 0.3 OUTLIER -88.53 -5.08 58.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.165 -1.197 . . . . 0.0 109.256 179.416 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.628 ' N ' HD12 ' A' ' 79' ' ' LEU . 22.6 t -172.3 12.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.866 . . . . 0.0 109.034 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.299 -1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.297 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.226 0.536 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.423 ' HB2' ' HE1' ' A' ' 16' ' ' TRP . 13.9 m -79.79 166.78 21.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 108.838 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mm -113.92 129.76 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.386 -0.821 . . . . 0.0 109.033 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.423 ' HE1' ' HB2' ' A' ' 14' ' ' SER . 89.0 m95 -143.42 130.34 20.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.261 -0.899 . . . . 0.0 108.639 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.1 m -130.02 139.8 50.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.414 -0.804 . . . . 0.0 109.662 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.68 176.66 3.18 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 109.003 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -65.81 -30.03 49.94 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.046 1.831 . . . . 0.0 112.65 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.46 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 27.7 mp0 -60.05 -41.54 92.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.989 -1.069 . . . . 0.0 109.559 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -67.63 -40.07 84.65 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.657 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.435 HG23 ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -69.56 -51.88 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.422 -0.798 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 70.4 mtm -53.33 -23.3 8.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.563 -1.335 . . . . 0.0 110.226 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.85 59.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.868 -1.145 . . . . 0.0 109.214 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.28 126.98 33.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.215 -0.928 . . . . 0.0 110.05 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -60.91 -36.41 79.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 109.579 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -57.46 -27.02 57.81 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.435 ' SD ' HG23 ' A' ' 22' ' ' ILE . 49.4 mtt -128.43 81.5 70.46 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.347 -1.09 . . . . 0.0 109.118 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.15 173.92 9.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.96 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.5 162.7 32.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.433 ' C ' ' SD ' ' A' ' 23' ' ' MET . 91.9 p -70.61 -167.38 0.18 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.144 -1.209 . . . . 0.0 108.976 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.61 ' N ' ' SD ' ' A' ' 23' ' ' MET . 66.4 t -56.46 -47.34 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.321 -0.862 . . . . 0.0 109.721 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.62 86.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.701 -1.249 . . . . 0.0 109.46 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.29 93.71 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.54 -40.06 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.287 -1.125 . . . . 0.0 108.211 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 41.7 m80 -64.6 -31.05 72.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.694 -0.629 . . . . 0.0 109.883 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.87 -47.53 85.36 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.0 . . . . 0.0 109.043 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 43.1 ttm180 -63.0 -43.06 99.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.922 -1.111 . . . . 0.0 109.152 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.75 2.65 7.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.845 . . . . 0.0 110.073 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.34 -43.71 55.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.173 -0.954 . . . . 0.0 109.488 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.0 -40.87 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.665 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.0 159.44 14.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.094 -1.004 . . . . 0.0 110.207 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.23 70.6 0.89 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 15.9 m0 -55.8 152.58 9.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.512 -0.993 . . . . 0.0 109.998 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 m -77.02 126.21 30.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -133.77 151.36 51.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.424 -0.797 . . . . 0.0 110.39 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -140.42 139.01 35.17 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -85.59 141.65 29.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.991 -1.068 . . . . 0.0 108.881 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 64.3 tttp -156.6 112.67 2.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.62 138.54 46.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.989 -1.07 . . . . 0.0 108.628 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.43 -65.91 0.07 OUTLIER Glycine 0 N--CA 1.491 2.315 0 C-N-CA 119.519 -1.324 . . . . 0.0 110.272 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.668 HG23 ' H ' ' A' ' 55' ' ' GLY . 13.8 m -54.09 166.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.982 -1.304 . . . . 0.0 109.248 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.0 -39.95 87.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.212 -0.93 . . . . 0.0 109.681 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.43 98.01 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.668 ' H ' HG23 ' A' ' 52' ' ' VAL . . . 91.39 175.07 43.4 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 55.38 32.33 18.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -1.065 . . . . 0.0 109.473 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -59.37 140.21 56.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.853 . . . . 0.0 108.843 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -122.08 146.85 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.559 -0.713 . . . . 0.0 110.09 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.33 158.2 38.87 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.9 m-85 -120.78 141.66 50.3 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.66 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -95.76 112.92 24.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.998 -1.064 . . . . 0.0 109.234 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.89 -20.51 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.0 110.037 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.6 mmm -72.03 -1.59 15.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.121 -0.987 . . . . 0.0 109.914 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 m -111.92 -19.17 12.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.395 -0.816 . . . . 0.0 109.676 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 47.9 mtm -80.28 151.72 72.71 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.1 Cg_exo -44.84 172.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.737 1.625 . . . . 0.0 111.682 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 t -72.41 -30.02 64.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.282 -0.886 . . . . 0.0 110.593 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.89 -48.22 82.58 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.772 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 38.8 mp0 -67.08 -35.17 79.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.855 -1.153 . . . . 0.0 109.585 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -59.8 -49.94 75.77 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 110.526 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.8 -33.79 74.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.7 -1.25 . . . . 0.0 110.533 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.38 -35.69 79.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.905 -1.122 . . . . 0.0 109.647 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.46 -48.9 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.024 -1.047 . . . . 0.0 109.566 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.8 mp -60.05 -40.44 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.839 -1.163 . . . . 0.0 108.795 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.96 88.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.167 -0.958 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -63.35 -40.04 96.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.87 -35.37 80.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.002 -1.061 . . . . 0.0 108.711 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -58.75 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' GLY . 84.7 mt 40.62 -131.36 0.36 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.477 -1.014 . . . . 0.0 110.319 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.4 t -65.99 -46.06 79.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 0.0 110.225 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.656 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.544 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.8 m -79.92 166.64 21.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.195 -0.94 . . . . 0.0 109.699 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -133.56 128.58 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.569 -0.707 . . . . 0.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 25.7 m95 -145.31 132.56 20.54 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 m -136.47 151.07 49.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.135 -0.978 . . . . 0.0 110.333 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 10.7 m -73.43 153.57 89.96 Favored Pre-proline 0 N--CA 1.491 1.585 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.13 -34.33 68.11 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.916 1.744 . . . . 0.0 112.238 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -59.97 -39.12 84.55 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.918 -1.114 . . . . 0.0 108.266 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -59.83 -39.44 85.1 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' ALA . 88.9 mt -67.3 -41.77 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 mmt -47.79 -27.43 2.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.678 -1.264 . . . . 0.0 109.814 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.62 -11.82 59.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.797 -1.19 . . . . 0.0 109.319 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -85.82 114.54 22.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.132 -0.98 . . . . 0.0 109.303 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 30.3 p-10 -60.33 -34.27 73.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.49 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -50.01 -26.98 9.34 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mtt -118.94 96.7 50.36 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.309 -1.112 . . . . 0.0 109.193 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -84.59 160.74 12.55 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.644 2.23 . . . . 0.0 113.236 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 159.02 22.63 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -70.84 -168.43 0.27 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.084 -1.245 . . . . 0.0 108.922 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -56.95 -45.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.175 -0.953 . . . . 0.0 109.34 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.88 88.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.024 -1.048 . . . . 0.0 110.288 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.98 93.06 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.5 -41.43 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.311 . . . . 0.0 107.887 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.536 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.5 m80 -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.698 . . . . 0.0 109.557 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -59.92 -50.08 75.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.207 -0.933 . . . . 0.0 109.754 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.645 HH22 HE22 ' A' ' 42' ' ' GLN . 45.3 ttt-85 -66.91 -46.38 75.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 109.422 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.11 71.04 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 111.507 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.76 -39.98 94.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.574 -1.329 . . . . 0.0 109.863 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.66 -41.25 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.094 -1.004 . . . . 0.0 109.084 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.645 HE22 HH22 ' A' ' 38' ' ' ARG . 96.0 mt-30 -82.61 157.78 23.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.53 57.17 4.72 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 17.7 m0 -63.67 140.58 58.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.073 -1.251 . . . . 0.0 108.891 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -75.6 123.77 26.08 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 mtpm? -127.98 159.54 34.67 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.582 0.706 . . . . 0.0 110.42 -178.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -145.89 158.21 43.87 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.84 160.03 23.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.121 -0.987 . . . . 0.0 110.342 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 50' ' ' GLU . 80.2 tttt -150.98 118.48 6.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.336 -0.852 . . . . 0.0 109.438 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 49' ' ' LYS . 40.7 mt-10 27.91 -143.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 121.189 0.519 . . . . 0.0 111.299 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.15 117.12 0.75 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' GLY . 23.5 t -104.16 111.02 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.347 -1.09 . . . . 0.0 109.619 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' VAL . 67.6 mmtt 34.18 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.187 0.518 . . . . 0.0 110.842 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -129.6 153.37 19.92 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 93.72 -24.22 27.06 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 55' ' ' GLY . 53.4 tttp 56.81 159.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.513 -0.992 . . . . 0.0 109.206 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.82 137.96 39.43 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.714 -1.241 . . . . 0.0 109.687 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.79 152.93 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 18' ' ' SER . 3.3 tp10 -126.23 145.29 50.45 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.31 -0.869 . . . . 0.0 109.491 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.536 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.2 m-85 -117.38 141.04 48.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.533 -0.729 . . . . 0.0 109.116 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 35.5 p-10 -96.06 124.22 39.98 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 0.0 108.964 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.13 -16.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.096 -1.002 . . . . 0.0 110.964 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.15 -9.98 59.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 110.463 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.4 p -104.98 -11.97 16.4 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.64 146.85 77.39 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.906 -1.121 . . . . 0.0 108.887 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 155.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.029 1.819 . . . . 0.0 112.114 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 110.124 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.89 -47.58 84.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.823 -1.173 . . . . 0.0 109.622 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 92.0 mt-10 -66.32 -39.38 89.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.94 . . . . 0.0 109.083 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -59.03 -40.1 84.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.474 -0.766 . . . . 0.0 109.09 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -61.06 -39.93 91.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.328 -0.857 . . . . 0.0 109.68 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -63.71 -39.82 95.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.323 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.65 -43.85 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.044 -1.035 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.03 -39.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.933 -1.104 . . . . 0.0 109.168 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -59.92 -39.8 86.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.37 -0.831 . . . . 0.0 109.382 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -66.17 -37.44 85.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.312 -0.867 . . . . 0.0 110.586 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -40.01 87.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.539 -1.35 . . . . 0.0 109.813 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 80' ' ' SER . . . -101.34 -20.66 13.02 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.0 mt 53.51 13.52 0.47 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.108 -1.231 . . . . 0.0 109.021 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 78' ' ' GLY . 62.0 m -164.86 -15.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.481 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.544 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 9.9 m -158.89 166.53 31.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 109.582 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.5 mt -131.47 130.09 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 21.7 m95 -140.06 136.46 33.66 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 m -139.77 147.64 41.1 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.831 -1.168 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 168.42 23.61 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.183 -0.948 . . . . 0.0 110.274 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.23 -28.14 14.24 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.842 2.361 . . . . 0.0 113.51 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.96 -43.39 95.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.838 -1.164 . . . . 0.0 109.181 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.39 -41.41 76.49 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.002 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -69.8 -53.36 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.0 110.125 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.571 ' SD ' HG22 ' A' ' 32' ' ' VAL . 80.6 mtp -51.28 -24.46 4.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.892 -1.13 . . . . 0.0 109.916 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.29 -9.4 58.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.082 -1.011 . . . . 0.0 109.781 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.81 130.07 35.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.009 -1.057 . . . . 0.0 110.337 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.881 . . . . 0.0 108.905 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.37 -27.18 52.9 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 28' ' ' MET . 1.8 mpt? -127.88 79.58 73.46 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.239 -1.154 . . . . 0.0 109.5 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.44 175.41 5.43 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 123.255 2.637 . . . . 0.0 112.587 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.64 164.92 37.11 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.566 -1.814 . . . . 0.0 108.566 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.5 p -69.0 -172.74 0.42 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.735 -1.45 . . . . 0.0 109.54 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.571 HG22 ' SD ' ' A' ' 23' ' ' MET . 62.0 t -53.64 -50.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.033 -1.042 . . . . 0.0 109.959 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' TYR . . . -58.54 -40.09 82.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 109.346 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.47 -46.13 94.94 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.22 -48.99 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 1.2 t60 -65.68 -28.45 69.09 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.703 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ALA . 59.9 t80 -59.85 -51.24 70.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 110.545 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 14.4 ptm180 -67.28 -39.33 86.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.9 -1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -7.95 43.98 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 109.218 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -76.37 -44.44 36.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.154 -0.966 . . . . 0.0 108.869 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.42 -39.82 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -79.73 155.57 27.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.24 -0.912 . . . . 0.0 110.313 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.23 57.7 3.55 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -71.46 148.42 46.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -1.203 . . . . 0.0 109.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.9 m -79.5 128.1 32.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -130.87 154.56 47.95 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.418 0.628 . . . . 0.0 110.214 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' CB ' ' NH1' ' A' ' 47' ' ' ARG . 1.3 ptp180 -146.42 134.08 21.05 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -86.31 156.3 20.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.648 -1.282 . . . . 0.0 110.101 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' NZ ' ' OE2' ' A' ' 59' ' ' GLU . 28.1 mtmt -152.18 153.43 33.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.471 -0.768 . . . . 0.0 109.278 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 52' ' ' VAL . 44.3 mt-10 59.5 25.3 14.09 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 56.4 6.78 1.66 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' H ' ' C ' ' A' ' 50' ' ' GLU . 32.9 m 36.47 24.12 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.721 -0.87 . . . . 0.0 111.692 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 51' ' ' GLY . 86.5 mttt -69.27 -39.79 78.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.023 -1.048 . . . . 0.0 108.222 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.17 -34.23 0.12 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.58 -36.62 93.38 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt 59.46 49.31 8.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.649 -0.913 . . . . 0.0 108.684 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.49 104.56 16.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.076 -1.015 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -131.5 154.03 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.506 ' OE2' ' NZ ' ' A' ' 49' ' ' LYS . 98.9 mt-10 -138.15 156.71 47.48 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.765 -1.209 . . . . 0.0 110.771 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 8.9 m-85 -130.46 136.9 49.47 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 19.1 p-10 -87.47 117.48 26.29 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.649 -1.282 . . . . 0.0 110.871 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.99 -12.09 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.783 -1.198 . . . . 0.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 55.1 ttm -70.02 -17.54 63.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 109.659 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.6 p -102.01 -8.69 21.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.225 -0.922 . . . . 0.0 109.548 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.8 mtt -77.71 149.68 77.96 Favored Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.917 -1.114 . . . . 0.0 108.198 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.66 164.37 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.344 1.362 . . . . 0.0 111.036 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.7 m -59.85 -39.92 86.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.274 -0.891 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.74 -49.18 78.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.21 -0.932 . . . . 0.0 111.71 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 3.7 mp0 -65.44 -50.29 65.96 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.821 -1.174 . . . . 0.0 111.506 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -60.14 -40.12 88.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.618 -1.302 . . . . 0.0 110.925 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.27 -39.88 88.4 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.404 -1.435 . . . . 0.0 108.636 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -69.84 -39.77 76.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.59 -49.33 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.784 -1.197 . . . . 0.0 109.5 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mp -60.56 -40.13 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.039 -1.038 . . . . 0.0 108.691 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.09 87.8 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.109 -0.994 . . . . 0.0 110.095 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.55 ' O ' HD11 ' A' ' 79' ' ' LEU . 55.5 t-80 -62.29 -40.68 97.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 108.914 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.33 -11.6 48.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.114 -0.992 . . . . 0.0 108.546 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -79.44 -15.93 78.96 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -89.4 19.81 4.23 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.967 -1.314 . . . . 0.0 109.293 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 79' ' ' LEU . 8.5 p 55.02 104.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.414 -0.804 . . . . 0.0 109.941 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.613 -179.786 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.311 0.577 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -159.75 167.06 29.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 109.6 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.9 mt -120.55 133.22 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.688 -0.633 . . . . 0.0 109.641 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -139.73 132.43 28.97 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.4 m -130.04 141.12 50.77 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.994 -1.066 . . . . 0.0 110.885 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.06 163.78 65.94 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.21 -42.02 67.5 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.397 2.065 . . . . 0.0 112.366 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -60.04 -42.55 94.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.828 -1.17 . . . . 0.0 108.554 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.44 -40.65 97.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.71 -47.18 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.799 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.3 mmm -43.42 -30.03 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.062 -1.024 . . . . 0.0 111.292 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.13 -9.97 59.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.71 -1.244 . . . . 0.0 109.607 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.97 121.02 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.01 -39.37 85.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.73 -24.59 1.89 Allowed Glycine 0 N--CA 1.492 2.4 0 O-C-N 121.32 -0.862 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 mmt -119.82 87.38 37.82 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.196 -1.179 . . . . 0.0 109.522 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.48 153.39 20.73 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.854 1.702 . . . . 0.0 111.931 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 162.86 15.12 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 p -74.36 -168.31 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.999 -1.295 . . . . 0.0 109.582 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.26 -50.31 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.439 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.42 87.41 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.271 -0.893 . . . . 0.0 109.055 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.76 -40.35 88.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 43.3 m80 -64.29 -40.02 95.1 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.397 -0.814 . . . . 0.0 108.826 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -60.11 -50.07 75.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 0.0 110.422 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -65.7 -51.82 56.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.881 -1.137 . . . . 0.0 109.875 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 -7.54 11.85 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.131 -0.98 . . . . 0.0 110.81 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.13 -40.33 94.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.699 -1.25 . . . . 0.0 109.761 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.8 -39.86 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.104 -0.998 . . . . 0.0 109.455 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.509 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 79.8 mt-30 -77.05 158.98 30.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.408 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.29 53.44 1.82 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.509 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 37.6 m0 -65.02 141.03 58.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -1.216 . . . . 0.0 109.551 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 45' ' ' THR . 9.6 t -75.35 131.1 40.02 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -126.57 147.89 49.82 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.766 -0.584 . . . . 0.0 110.016 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -144.47 130.74 19.66 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 109.001 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -89.63 106.91 18.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.185 -0.947 . . . . 0.0 110.285 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -93.32 105.38 17.46 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.986 -1.071 . . . . 0.0 109.249 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -75.55 134.23 40.78 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.028 -1.045 . . . . 0.0 109.79 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.27 30.84 0.08 OUTLIER Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 40.7 t -143.03 94.49 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -1.169 . . . . 0.0 109.838 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 45.95 18.66 0.05 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.335 -0.853 . . . . 0.0 109.417 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . 70.57 18.89 75.95 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.53 0.78 84.6 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 53.92 75.22 0.28 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -1.109 . . . . 0.0 109.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 145.03 48.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.216 -0.928 . . . . 0.0 110.184 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.25 143.32 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.33 158.13 44.58 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.352 -0.842 . . . . 0.0 110.293 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.559 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 22.6 m-85 -126.21 139.92 52.96 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.8 125.74 32.84 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.689 -1.257 . . . . 0.0 110.069 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.2 t -65.66 -30.12 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.275 -0.891 . . . . 0.0 110.696 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.3 mmm -70.33 -4.91 24.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.92 . . . . 0.0 110.58 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -101.87 -13.1 17.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.227 -0.92 . . . . 0.0 109.2 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 42.9 mtt -76.76 140.88 67.88 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 110.076 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -42.62 160.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.623 1.548 . . . . 0.0 111.461 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.9 m -60.65 -39.95 90.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 110.776 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -53.45 -51.26 63.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.843 -1.16 . . . . 0.0 110.149 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.16 -29.9 68.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.825 -1.172 . . . . 0.0 109.585 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.75 -50.0 75.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.68 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -31.58 72.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 109.467 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.56 -38.63 91.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.45 -45.48 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.313 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mm -61.21 -43.16 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.279 -0.888 . . . . 0.0 108.872 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.369 -0.832 . . . . 0.0 110.431 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -60.18 -40.99 91.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.025 . . . . 0.0 109.543 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -31.92 69.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.766 . . . . 0.0 109.907 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.06 -43.85 97.85 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 80' ' ' SER . 1.2 pp -85.04 169.52 13.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.909 -1.348 . . . . 0.0 109.423 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 79' ' ' LEU . 67.7 m -56.72 128.72 37.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.906 -1.121 . . . . 0.0 109.898 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.062 -1.024 . . . . 0.0 109.605 179.917 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -159.72 163.47 34.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.871 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -132.11 134.92 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -139.67 140.52 36.91 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.99 144.86 50.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.351 -0.843 . . . . 0.0 110.734 -179.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -72.95 155.11 90.75 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.9 -23.18 33.2 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.999 1.799 . . . . 0.0 111.978 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.92 -49.67 76.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.101 -0.999 . . . . 0.0 108.817 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.91 -42.71 94.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.26 -53.05 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.312 -0.868 . . . . 0.0 110.411 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.408 ' O ' ' SD ' ' A' ' 23' ' ' MET . 11.4 tmm? -52.31 -25.11 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.881 -1.137 . . . . 0.0 109.812 -179.071 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.76 -9.49 59.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.064 -1.022 . . . . 0.0 108.739 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.65 133.79 35.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.832 . . . . 0.0 109.302 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.01 -40.06 87.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.149 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.34 28.61 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -124.23 80.74 58.65 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.885 . . . . 0.0 108.706 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -86.52 167.43 8.82 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 123.013 2.476 . . . . 0.0 112.675 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.88 168.27 27.28 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.271 -2.332 . . . . 0.0 107.271 -179.036 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 -168.79 0.12 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.808 -1.407 . . . . 0.0 108.923 -179.101 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.74 -47.92 87.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.528 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.76 83.4 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.668 -1.27 . . . . 0.0 108.951 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.16 -39.26 49.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.03 -43.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -1.218 . . . . 0.0 108.106 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.1 m80 -60.02 -36.75 77.91 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -58.99 -45.24 91.1 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.193 -0.942 . . . . 0.0 109.134 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -63.63 -43.32 97.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.965 -1.085 . . . . 0.0 108.091 179.155 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.8 0.85 6.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.731 . . . . 0.0 110.946 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -72.89 -44.34 61.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.587 -1.321 . . . . 0.0 109.059 179.026 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.04 -47.53 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 109.204 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -80.19 155.23 27.5 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.51 70.13 0.21 Allowed Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -67.88 152.95 44.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.255 -1.144 . . . . 0.0 108.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 45' ' ' THR . 9.0 t -77.07 127.47 32.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.118 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -125.71 151.87 46.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.784 -0.573 . . . . 0.0 109.624 -178.031 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -146.15 126.8 14.25 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -85.54 148.62 25.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.946 -1.097 . . . . 0.0 109.156 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.1 mtpm? -146.26 115.01 6.86 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.18 -0.95 . . . . 0.0 108.979 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -77.41 150.89 34.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 109.51 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.51 -151.66 18.0 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 53' ' ' LYS . 3.2 t 56.22 -128.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.398 -1.06 . . . . 0.0 109.633 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' H ' HG12 ' A' ' 52' ' ' VAL . 54.8 mtpt -80.68 -8.34 59.61 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.023 -1.048 . . . . 0.0 109.887 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.31 -170.22 35.47 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 69.99 23.53 77.01 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' GLY . 54.6 mttm 58.02 121.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.67 0.748 . . . . 0.0 110.077 -179.523 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -96.47 148.79 22.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.516 -0.74 . . . . 0.0 109.53 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.04 141.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 50.1 mp0 -130.04 157.72 41.6 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.34 -0.85 . . . . 0.0 110.55 -178.464 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.0 m-85 -129.31 136.1 49.61 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -86.11 125.11 33.23 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.734 -1.229 . . . . 0.0 109.142 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' SER . 12.1 p -62.39 -30.98 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.071 -1.018 . . . . 0.0 110.776 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mmt -72.03 18.49 0.08 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.045 -1.035 . . . . 0.0 110.277 -179.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 62' ' ' VAL . 67.6 m -113.96 -31.59 6.34 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.434 -0.791 . . . . 0.0 111.195 -179.117 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -81.18 153.44 71.86 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 120.696 -1.253 . . . . 0.0 109.726 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 65' ' ' MET . 80.0 Cg_exo -41.88 171.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 0.0 111.972 178.75 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -67.89 -25.35 65.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.983 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 110.532 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.9 mp0 -64.02 -38.6 91.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 110.209 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -59.98 -44.59 94.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.933 -1.104 . . . . 0.0 109.875 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.23 -47.03 87.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.238 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.52 -39.45 77.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 110.063 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.47 -47.46 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.984 -1.072 . . . . 0.0 109.29 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.11 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.089 -1.007 . . . . 0.0 108.506 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.34 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.209 -0.932 . . . . 0.0 108.653 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.28 -42.36 99.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.1 mm? -63.91 -39.96 95.39 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.047 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.22 -29.2 28.83 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 108.669 -1.772 . . . . 0.0 108.669 179.447 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 tp -86.86 -73.66 0.46 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.518 -0.989 . . . . 0.0 108.435 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.461 ' C ' HG23 ' A' ' 81' ' ' THR . 27.6 t -56.27 168.28 0.55 Allowed 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.461 HG23 ' C ' ' A' ' 80' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.473 0 O-C-N 121.2 -0.937 . . . . 0.0 109.438 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.443 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.4 m -79.67 163.94 24.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 109.433 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.5 mt -126.65 129.97 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 47' ' ' ARG . 51.3 m95 -141.42 131.33 24.45 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.2 m -139.13 152.94 47.86 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.128 -0.982 . . . . 0.0 110.594 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -72.86 153.62 91.13 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.73 -26.98 84.05 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.064 1.843 . . . . 0.0 111.9 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -60.0 -44.52 94.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.118 -0.988 . . . . 0.0 108.399 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.81 -40.47 96.71 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.352 -0.842 . . . . 0.0 108.908 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.7 mt -69.66 -43.93 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.504 ' O ' ' SD ' ' A' ' 23' ' ' MET . 13.5 tmm? -52.15 -22.29 4.11 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.323 -0.86 . . . . 0.0 109.493 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.24 -5.41 54.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.17 -0.956 . . . . 0.0 109.355 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 128.79 34.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.879 . . . . 0.0 109.773 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -60.1 -39.88 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 108.829 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.12 -16.31 18.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.543 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 6.1 mtt -128.42 79.39 74.22 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.402 -1.058 . . . . 0.0 108.893 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.27 167.55 21.32 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.793 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.87 163.74 22.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 -179.044 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 p -69.78 -167.98 0.17 Allowed 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.715 -1.462 . . . . 0.0 108.503 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -57.06 -49.96 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.543 0 C-N-CA 118.873 -1.131 . . . . 0.0 108.536 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.63 86.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.132 -0.98 . . . . 0.0 109.474 179.233 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.48 -40.25 31.07 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.384 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.37 -40.55 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.301 . . . . 0.0 108.764 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CD2' ' HH ' ' A' ' 60' ' ' TYR . 30.6 m80 -61.79 -28.85 69.75 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.372 -0.83 . . . . 0.0 109.226 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.87 -40.09 96.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.155 -0.966 . . . . 0.0 108.531 178.246 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.85 0.82 3.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.647 -0.658 . . . . 0.0 109.678 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -73.19 -53.33 11.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 109.08 178.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.03 -42.02 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -83.15 149.81 26.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.329 -0.857 . . . . 0.0 109.845 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.5 70.47 0.23 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.632 ' CZ3' ' SD ' ' A' ' 65' ' ' MET . 24.5 m0 -66.95 165.58 15.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -1.14 . . . . 0.0 108.961 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.1 m -74.27 130.05 38.97 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -132.32 150.02 52.24 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.341 -0.849 . . . . 0.0 110.746 -177.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 16' ' ' TRP . 33.7 ptt180 -149.94 -179.99 7.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -145.58 127.42 15.37 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.878 -1.139 . . . . 0.0 110.302 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.31 126.6 36.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.456 -0.778 . . . . 0.0 109.487 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -76.68 147.5 37.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.205 -0.934 . . . . 0.0 109.514 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.65 -139.05 14.46 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 t 59.97 80.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.685 -0.891 . . . . 0.0 109.571 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.89 15.69 5.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.45 9.79 6.84 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -94.32 6.35 71.65 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 120.995 -1.297 . . . . 0.0 109.938 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 55' ' ' GLY . 57.6 mttp 57.86 129.99 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.777 -0.837 . . . . 0.0 110.057 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.02 142.85 46.94 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.515 -0.741 . . . . 0.0 110.041 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.63 141.39 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.114 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.95 155.0 47.53 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.293 -0.879 . . . . 0.0 110.632 -179.199 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.497 ' HH ' ' CD2' ' A' ' 36' ' ' HIS . 87.3 m-85 -126.9 136.74 52.72 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.27 115.96 26.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.974 -1.079 . . . . 0.0 109.705 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 t -65.86 -21.24 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.135 -0.978 . . . . 0.0 109.418 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.3 tpp -71.67 -5.1 31.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.485 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.5 t -105.95 -18.73 13.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.632 ' SD ' ' CZ3' ' A' ' 44' ' ' TRP . 42.3 mtm -79.78 148.71 69.49 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.926 -1.109 . . . . 0.0 110.025 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.82 163.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.836 1.691 . . . . 0.0 111.6 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -62.42 -39.87 94.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.955 . . . . 0.0 110.334 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.3 -50.65 69.02 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.132 -0.98 . . . . 0.0 110.537 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -65.47 -39.2 91.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.027 -1.046 . . . . 0.0 109.829 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.59 -44.68 93.29 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.999 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.168 -0.957 . . . . 0.0 110.442 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -68.94 -39.95 79.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.69 -44.86 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.968 -1.083 . . . . 0.0 108.839 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.96 -40.1 82.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.7 -38.83 70.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.903 -1.123 . . . . 0.0 108.941 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.9 t-80 -64.79 -34.99 79.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.0 109.032 179.575 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.111 -0.993 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -57.0 -55.42 30.38 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt 39.96 -88.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.887 -0.773 . . . . 0.0 110.299 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 78' ' ' GLY . 30.9 t -139.78 13.9 2.5 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.799 -1.188 . . . . 0.0 108.471 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.297 -1.688 0 O-C-N 121.742 -0.599 . . . . 0.0 109.731 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.362 0.601 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -160.01 161.18 33.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -0.845 . . . . 0.0 109.407 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.6 mt -130.5 129.98 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.499 -0.751 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ2' ' NH2' ' A' ' 47' ' ' ARG . 65.8 m95 -140.24 135.5 32.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -133.14 143.82 49.51 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.162 -0.961 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.92 161.19 78.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.6 -32.83 91.53 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.402 2.068 . . . . 0.0 111.961 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.97 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.57 -49.43 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.529 -0.732 . . . . 0.0 110.329 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 56.1 mtm -52.19 -22.74 4.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.608 -1.307 . . . . 0.0 110.353 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.97 -10.0 59.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.698 -1.251 . . . . 0.0 109.091 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.18 35.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.2 -0.937 . . . . 0.0 109.245 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.7 p-10 -62.05 -24.86 67.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.38 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -66.69 -30.63 76.61 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.0 mpt? -120.74 79.02 30.9 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.434 -1.039 . . . . 0.0 109.259 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -83.05 168.89 13.33 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.767 2.311 . . . . 0.0 112.52 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 167.58 35.11 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -71.31 -171.72 0.64 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.067 -1.255 . . . . 0.0 109.446 -179.055 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' N ' ' SD ' ' A' ' 23' ' ' MET . 49.0 t -57.52 -45.35 86.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.86 90.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.78 -1.2 . . . . 0.0 110.018 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.2 97.79 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.66 -40.04 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -1.044 . . . . 0.0 108.192 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 25.1 m80 -69.58 -28.46 65.99 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -59.97 -51.21 70.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.986 . . . . 0.0 110.727 -178.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 15.0 ptm180 -70.63 -41.48 72.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.607 -1.308 . . . . 0.0 109.681 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.93 -2.9 19.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.018 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -74.6 -43.02 57.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 0.0 109.204 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.9 -44.97 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.545 -0.722 . . . . 0.0 109.788 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.02 158.29 26.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.94 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.84 68.42 1.75 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -62.01 147.97 45.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.406 -1.055 . . . . 0.0 110.267 -179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -75.74 123.71 26.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.583 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HZ2' ' HE2' ' A' ' 60' ' ' TYR . 21.6 mtpp -134.89 151.24 50.71 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.4 -0.813 . . . . 0.0 111.196 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 ptp180 -147.22 140.47 25.32 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.006 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -90.16 103.84 16.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.951 -1.093 . . . . 0.0 109.235 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -85.98 112.68 21.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.214 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -78.63 150.45 32.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.451 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.7 -52.49 0.42 Allowed Glycine 0 N--CA 1.492 2.417 0 C-N-CA 119.647 -1.263 . . . . 0.0 110.097 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.97 134.8 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.085 -1.244 . . . . 0.0 109.45 -179.512 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 54' ' ' GLY . 63.1 mttp -60.2 130.18 45.41 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 51.88 176.23 0.04 OUTLIER Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 68.32 -41.32 0.29 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.876 -1.289 . . . . 0.0 109.876 179.765 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 54' ' ' GLY . 30.4 tptt 60.35 125.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.472 -1.017 . . . . 0.0 109.567 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.92 133.87 34.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.952 -1.093 . . . . 0.0 109.655 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.42 143.46 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.35 160.0 38.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.538 -0.726 . . . . 0.0 110.086 -179.039 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 36' ' ' HIS . 52.5 m-85 -123.48 148.63 46.04 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.31 116.5 28.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.068 -1.02 . . . . 0.0 108.97 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.85 -34.07 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.926 . . . . 0.0 110.534 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.0 mtp -68.53 -6.45 25.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.052 -1.03 . . . . 0.0 109.193 -178.515 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.7 p -102.63 -12.42 17.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 54.0 mtt -77.47 142.72 67.29 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -44.98 157.96 0.19 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.731 1.621 . . . . 0.0 112.067 179.062 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.0 m -60.02 -39.89 87.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.137 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.583 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 39.8 tttm -53.4 -49.56 67.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.582 -179.115 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.23 -38.68 88.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.985 -1.072 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -58.45 -39.27 79.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 109.659 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.97 -46.08 90.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.981 . . . . 0.0 109.505 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 2.1 mp0 -68.36 -39.99 81.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.898 . . . . 0.0 110.513 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.76 -50.92 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.847 -1.158 . . . . 0.0 110.018 -179.095 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.97 -40.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.196 -0.94 . . . . 0.0 109.596 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.97 -39.37 71.69 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -66.71 -37.7 85.23 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.82 -40.33 92.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.075 -1.015 . . . . 0.0 109.569 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -57.76 -64.77 4.06 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' C ' HD13 ' A' ' 79' ' ' LEU . 0.5 OUTLIER 41.84 -88.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.643 -0.916 . . . . 0.0 110.061 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' GLY . 12.8 m -154.35 -0.36 0.19 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.581 -1.324 . . . . 0.0 109.767 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 109.32 -179.875 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.5 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.2 m -79.26 159.98 27.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.162 -0.961 . . . . 0.0 108.885 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.2 mt -134.39 131.88 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.397 -0.814 . . . . 0.0 109.608 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.9 m95 -145.43 130.03 17.98 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.9 m -128.03 139.93 52.26 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.276 -0.89 . . . . 0.0 110.493 -178.405 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 175.84 3.68 Favored Pre-proline 0 N--CA 1.492 1.666 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.28 -32.13 42.43 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 121.918 1.745 . . . . 0.0 112.483 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.07 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.951 -1.093 . . . . 0.0 109.348 -179.232 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.44 -44.89 95.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.174 -0.953 . . . . 0.0 108.738 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -70.02 -51.29 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.58 -0.7 . . . . 0.0 109.648 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 31' ' ' SER . 33.6 mmm -42.92 -30.78 0.43 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 111.621 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.25 -6.98 58.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.799 -1.188 . . . . 0.0 109.636 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 127.27 32.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.089 -1.007 . . . . 0.0 109.945 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -39.34 85.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.359 -0.838 . . . . 0.0 109.483 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.553 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.36 -16.96 16.89 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.498 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -130.02 79.87 72.18 Favored Pre-proline 0 N--CA 1.502 2.128 0 O-C-N 121.084 -1.245 . . . . 0.0 109.126 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.6 164.99 14.16 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.938 2.425 . . . . 0.0 112.693 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.6 166.91 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' SD ' ' A' ' 23' ' ' MET . 24.7 p -71.83 -167.6 0.3 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.001 -1.294 . . . . 0.0 109.328 -179.456 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.81 -48.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.105 -0.997 . . . . 0.0 108.534 -179.338 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.119 -0.988 . . . . 0.0 109.749 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.26 -39.99 93.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.298 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.63 -41.41 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.247 -1.149 . . . . 0.0 108.418 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 36.9 m80 -61.54 -38.22 86.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.645 -0.659 . . . . 0.0 109.834 179.674 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.023 -1.048 . . . . 0.0 109.837 -178.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 63.7 ttt180 -63.2 -49.44 74.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.937 -1.102 . . . . 0.0 109.745 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.97 3.83 3.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.266 -0.897 . . . . 0.0 110.685 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.38 -40.96 73.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.885 -1.134 . . . . 0.0 108.789 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.19 -46.27 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.529 -0.732 . . . . 0.0 109.601 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -74.04 143.14 45.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.672 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.19 55.55 4.76 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -62.36 145.14 54.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 0.0 109.4 179.425 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.2 m -72.7 129.99 39.5 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -127.48 139.61 52.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.585 -0.697 . . . . 0.0 109.206 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 47' ' ' ARG . 1.6 ptm180 -140.8 124.71 17.19 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 108.87 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 106.12 18.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.582 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -91.0 99.4 12.45 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.213 -0.929 . . . . 0.0 108.922 178.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 50' ' ' GLU . 57.4 mp0 -80.13 154.24 28.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.86 40.45 25.87 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.974 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.91 -130.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.066 -1.255 . . . . 0.0 109.467 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.1 135.62 56.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.081 -1.012 . . . . 0.0 109.351 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 45.76 -113.53 1.04 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.89 146.96 15.42 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 59.5 45.95 12.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.625 -0.927 . . . . 0.0 109.682 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.09 136.99 58.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.851 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.76 142.69 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.51 -0.744 . . . . 0.0 109.17 -179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -129.28 154.73 46.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.793 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.6 m-85 -122.37 136.43 54.9 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 12.2 p-10 -84.92 117.3 23.84 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.782 -1.199 . . . . 0.0 109.167 179.319 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 t -67.45 -19.88 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.087 -1.008 . . . . 0.0 111.279 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.9 mtp -72.73 3.85 4.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.762 -1.211 . . . . 0.0 110.885 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.0 p -108.1 -18.2 13.84 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.12 -0.987 . . . . 0.0 110.821 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.9 ptp -82.29 149.96 63.04 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.68 -1.263 . . . . 0.0 109.616 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -169.86 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.942 1.762 . . . . 0.0 111.967 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 68' ' ' LYS . 9.5 t -74.04 -38.36 64.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.25 -0.906 . . . . 0.0 112.741 -177.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 67' ' ' THR . 62.5 mttp -55.04 -52.46 63.1 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.401 -1.437 . . . . 0.0 111.035 -177.404 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 45.8 mp0 -66.58 -37.24 84.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.891 -1.13 . . . . 0.0 110.094 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.72 -41.51 91.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.948 -1.095 . . . . 0.0 109.716 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.057 -1.027 . . . . 0.0 109.739 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -64.65 -40.03 94.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 0.0 109.544 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.46 -51.37 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.971 -1.08 . . . . 0.0 109.491 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.53 -41.82 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.88 -1.137 . . . . 0.0 109.737 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -60.46 -31.93 70.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 110.024 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -64.25 -43.88 93.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.084 -1.01 . . . . 0.0 110.255 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mm? -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.901 -1.124 . . . . 0.0 109.454 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.84 -26.89 57.7 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER 59.52 17.04 5.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.463 -1.022 . . . . 0.0 108.555 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.419 ' H ' ' H ' ' A' ' 81' ' ' THR . 56.5 m -166.71 -15.8 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.443 -0.786 . . . . 0.0 109.558 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.419 ' H ' ' H ' ' A' ' 80' ' ' SER . 12.5 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.199 -0.938 . . . . 0.0 109.58 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.447 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.2 m -79.91 164.88 23.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.044 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.4 mt -130.94 130.13 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CH2' ' CZ ' ' A' ' 47' ' ' ARG . 41.7 m95 -140.77 133.16 28.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.189 -0.945 . . . . 0.0 108.645 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.9 m -130.01 140.0 50.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.357 -0.84 . . . . 0.0 109.917 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -74.99 165.52 53.26 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.75 -29.21 79.7 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 121.853 1.702 . . . . 0.0 112.727 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -58.87 -44.97 91.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.94 -1.1 . . . . 0.0 108.279 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 39.7 mp0 -65.23 -40.64 94.32 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.914 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.403 HG23 ' SD ' ' A' ' 28' ' ' MET . 86.1 mt -70.47 -53.16 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 110.234 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 61.2 mtm -51.77 -21.6 2.93 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.376 -1.453 . . . . 0.0 109.715 -179.298 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -9.95 59.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.968 -1.083 . . . . 0.0 109.328 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.14 124.93 31.67 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.135 -0.978 . . . . 0.0 109.045 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 61.2 t0 -60.17 -40.07 88.66 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.364 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.96 -22.68 35.76 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.271 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.403 ' SD ' HG23 ' A' ' 22' ' ' ILE . 13.7 mtt -120.04 78.97 25.32 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.314 -1.109 . . . . 0.0 109.292 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.22 161.47 23.11 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.753 2.302 . . . . 0.0 112.611 -178.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.7 161.23 22.1 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.454 ' C ' ' SD ' ' A' ' 23' ' ' MET . 77.9 p -72.75 -165.31 0.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.171 -1.194 . . . . 0.0 109.367 -179.598 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' SD ' ' A' ' 23' ' ' MET . 41.9 t -56.71 -48.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.468 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.05 88.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.068 -1.02 . . . . 0.0 109.961 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.17 -45.73 94.88 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.226 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.09 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.243 . . . . 0.0 108.528 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 20.2 m80 -68.2 -33.72 74.94 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.04 -51.76 68.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.344 -0.847 . . . . 0.0 110.748 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.97 -37.92 79.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.822 -1.174 . . . . 0.0 109.691 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.12 -10.7 60.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.795 -178.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.38 -39.82 77.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.65 -43.6 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -80.34 159.53 25.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.4 -0.813 . . . . 0.0 109.689 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.73 60.02 4.25 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -69.7 144.83 52.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.183 -1.186 . . . . 0.0 109.705 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 m -78.51 121.5 24.67 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -131.97 144.3 50.72 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.573 ' CZ ' ' CH2' ' A' ' 16' ' ' TRP . 4.2 ptp180 -150.83 150.09 30.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.05 -1.031 . . . . 0.0 109.588 178.327 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -82.5 157.01 23.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.522 -0.736 . . . . 0.0 110.366 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -153.86 100.82 2.4 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -78.57 155.25 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.15 -35.82 2.19 Favored Glycine 0 N--CA 1.501 3.01 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.206 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.9 t -95.16 129.63 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.877 -1.366 . . . . 0.0 109.634 -179.513 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.51 133.23 55.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.899 . . . . 0.0 109.63 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.43 -72.1 0.27 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.05 70.71 0.04 OUTLIER Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 53.05 91.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -1.13 . . . . 0.0 108.625 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.01 157.5 21.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.639 -179.203 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.97 160.07 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -132.33 153.92 50.24 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 53.1 m-85 -123.71 132.49 53.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -93.86 109.23 20.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.877 -1.14 . . . . 0.0 108.843 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -66.21 -11.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.153 -0.967 . . . . 0.0 110.123 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 45.9 ttm -71.56 -9.77 58.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.083 -1.011 . . . . 0.0 108.442 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -103.47 -10.8 18.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 0.0 109.518 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -77.43 154.3 81.71 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.037 -1.039 . . . . 0.0 109.104 179.506 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.52 166.32 24.28 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.76 1.64 . . . . 0.0 110.431 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.7 p -60.18 -39.58 86.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.872 -1.143 . . . . 0.0 110.427 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -55.21 -58.54 7.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.939 -1.1 . . . . 0.0 110.303 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.23 -40.06 82.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.049 -1.032 . . . . 0.0 110.327 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.84 -46.57 88.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.852 -1.155 . . . . 0.0 108.983 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -61.78 -39.9 93.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.552 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.94 -39.84 91.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 109.639 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.65 -49.52 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.98 -1.075 . . . . 0.0 108.793 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.11 -39.39 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.816 -1.177 . . . . 0.0 108.656 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.59 -34.17 57.44 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -61.89 -40.12 94.31 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.04 -39.98 91.87 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.68 98.15 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 79' ' ' LEU . 4.4 pp -89.48 4.03 50.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.132 -1.217 . . . . 0.0 109.814 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 t -89.98 -2.46 58.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 109.053 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 -179.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.107 -0.701 . . . . 4.92 109.107 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.573 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 4.4 m -77.52 141.88 39.37 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.84 -1.171 . . . . 0.97 107.84 179.755 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -110.02 129.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 108.644 -0.873 . . . . 1.39 108.644 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 80.1 m95 -139.07 129.19 25.26 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.482 -0.933 . . . . 0.77 108.482 -179.196 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.8 m -131.56 141.38 49.68 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.449 -0.782 . . . . 0.69 109.931 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.26 160.37 82.77 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 1.55 108.85 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.38 -26.32 52.58 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.539 2.159 . . . . 0.69 111.037 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.03 -52.71 64.21 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.869 -0.789 . . . . 2.69 108.869 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.468 -0.77 . . . . 2.14 108.973 -179.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.417 HG23 ' SD ' ' A' ' 28' ' ' MET . 96.6 mt -67.05 -49.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 C-N-CA 119.592 -0.843 . . . . 0.59 108.785 179.176 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -44.83 -29.68 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.099 -1.0 . . . . 1.87 110.337 179.817 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -8.24 57.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.958 -1.089 . . . . 0.74 109.731 -178.415 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.1 127.57 33.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.133 -0.979 . . . . 0.53 109.493 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.03 -44.07 94.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -0.914 . . . . 2.29 109.944 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -52.08 -16.18 2.96 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.57 -1.012 . . . . 0.66 110.57 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.417 ' SD ' HG23 ' A' ' 22' ' ' ILE . 9.3 mtt -130.03 79.98 71.94 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.289 -1.124 . . . . 1.05 109.865 -179.275 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.15 170.13 12.36 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.96 2.44 . . . . 0.71 112.727 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.74 27.79 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.547 -1.821 . . . . 0.68 108.547 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' SD ' ' A' ' 23' ' ' MET . 70.7 p -71.8 -169.04 0.41 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.015 -1.285 . . . . 0.88 108.885 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.6 -48.72 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.01 -1.056 . . . . 0.9 108.872 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.99 87.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.188 -0.945 . . . . 0.84 109.577 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.37 -41.53 71.99 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.04 -1.624 . . . . 0.7 109.04 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.84 -43.37 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.6 108.155 178.717 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.544 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 34.5 m80 -60.06 -39.78 87.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.552 -0.717 . . . . 1.02 109.497 179.632 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -55.14 -45.29 75.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.202 -0.936 . . . . 1.43 108.621 -179.613 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 52.7 ttt180 -67.15 -48.76 67.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.495 -0.753 . . . . 2.72 110.052 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.22 3.57 3.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 0.79 109.637 -179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -76.68 -46.24 26.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.371 -0.831 . . . . 2.51 109.405 179.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.0 -40.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.407 -0.808 . . . . 1.33 109.247 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -84.23 150.22 25.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.332 -0.855 . . . . 2.34 109.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.04 61.49 2.61 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.035 -1.626 . . . . 0.77 109.035 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.596 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 31.3 m0 -59.32 150.8 25.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -1.133 . . . . 0.7 109.284 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -75.58 122.58 24.12 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 106.868 -1.53 . . . . 0.99 106.868 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -130.05 155.64 45.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.39 -0.819 . . . . 2.17 110.295 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -144.96 134.44 23.18 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.668 -0.864 . . . . 2.5 108.668 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -91.34 123.0 34.43 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 3.4 110.315 -179.411 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 119.97 39.99 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.896 -1.149 . . . . 3.12 107.896 177.264 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.41 167.02 22.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.957 0.884 . . . . 4.38 111.608 -178.774 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 78.66 -18.2 6.03 Favored Glycine 0 N--CA 1.493 2.436 0 CA-C-N 115.996 -0.547 . . . . 3.38 113.307 176.575 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.626 HG21 ' CB ' ' A' ' 57' ' ' ALA . 2.8 t -72.5 64.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-N 120.177 1.988 . . . . 4.37 108.603 -179.34 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 55' ' ' GLY . 11.5 ttmm 12.89 131.47 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 N-CA-C 116.172 1.916 . . . . 8.22 116.172 179.447 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . 15.55 44.76 0.01 OUTLIER Glycine 0 N--CA 1.507 3.423 0 CA-C-N 114.431 -1.259 . . . . 3.78 112.841 176.116 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . -160.6 -38.03 0.02 OUTLIER Glycine 0 C--N 1.288 -2.138 0 N-CA-C 106.697 -2.561 . . . . 2.84 106.697 179.276 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 55' ' ' GLY . 25.1 mttt 57.92 119.81 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.704 -0.85 . . . . 4.62 108.704 179.016 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.626 ' CB ' HG21 ' A' ' 52' ' ' VAL . . . -76.77 117.48 18.43 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.042 -1.063 . . . . 1.26 110.357 -178.164 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.94 122.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 N-CA-C 102.933 -2.988 . . . . 1.72 102.933 176.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.66 151.2 33.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.184 -0.948 . . . . 2.18 110.076 -176.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 64.6 m-85 -116.78 138.43 51.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.814 -0.81 . . . . 0.71 108.814 -179.064 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.1 115.66 23.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.133 -0.979 . . . . 1.98 108.775 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.81 -20.6 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 1.32 109.693 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.08 -2.78 29.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 1.7 110.654 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.3 p -106.78 -15.8 14.64 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.092 -1.005 . . . . 1.39 110.047 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 8.7 mtt -79.98 147.89 66.89 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.838 -1.164 . . . . 1.5 109.622 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.6 Cg_exo -44.03 170.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.632 1.555 . . . . 0.79 111.345 178.462 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.81 86.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 1.55 109.343 179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -55.16 -55.3 32.7 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.892 . . . . 2.97 111.546 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.703 -1.248 . . . . 2.62 109.131 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.97 -44.48 94.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.022 -1.049 . . . . 3.08 109.757 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -60.09 -39.87 87.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.559 -1.338 . . . . 2.32 108.914 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -60.92 -40.14 92.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.38 -0.825 . . . . 2.26 108.813 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.52 -47.18 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.66 109.795 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.01 -42.78 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.023 -1.048 . . . . 1.38 108.544 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.495 -0.753 . . . . 0.69 110.503 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -60.18 -40.42 89.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.103 . . . . 1.06 109.109 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.64 -40.03 66.72 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.963 -1.125 . . . . 1.55 107.963 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.29 -20.61 37.05 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 121.31 -0.869 . . . . 1.57 113.699 -177.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -88.76 -33.96 17.28 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.365 2.082 . . . . 2.34 112.767 -177.71 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.01 -60.68 1.48 Allowed 'General case' 0 N--CA 1.51 2.563 0 O-C-N 120.235 -1.541 . . . . 4.11 110.154 179.779 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.12 -0.987 . . . . 5.24 109.415 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.456 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -132.62 129.99 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CE3' ' OD1' ' A' ' 61' ' ' ASP . 29.0 m95 -139.95 130.85 26.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.6 m -130.04 141.63 50.71 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.362 -0.836 . . . . 0.0 110.035 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.01 158.02 86.28 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.897 . . . . 0.0 109.463 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HB2' HG13 ' A' ' 32' ' ' VAL . 18.7 Cg_endo -57.51 -26.89 74.0 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.813 2.342 . . . . 0.0 112.655 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -59.95 -44.43 94.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.987 -1.07 . . . . 0.0 108.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 40.0 mp0 -68.33 -40.1 81.73 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.255 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 82.9 mt -68.9 -54.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.337 -0.852 . . . . 0.0 110.546 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -14.29 46.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.752 -1.218 . . . . 0.0 110.33 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.42 -6.24 57.76 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.15 131.19 35.68 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 108.577 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.2 -24.16 50.23 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.505 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 8.1 mtt -121.8 80.13 40.77 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.539 -0.977 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.85 168.85 17.12 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.814 2.343 . . . . 0.0 112.564 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.24 165.47 28.74 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -70.03 -168.31 0.2 Allowed 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.985 -1.303 . . . . 0.0 108.955 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 19' ' ' PRO . 54.4 t -58.26 -46.59 88.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.187 -0.945 . . . . 0.0 109.294 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.665 -1.272 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.99 -40.2 50.26 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.33 -40.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.209 -1.171 . . . . 0.0 108.162 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.583 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 61.7 m80 -59.97 -33.93 72.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.814 . . . . 0.0 109.092 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 66.9 t80 -59.54 -47.45 85.47 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 109.227 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 38' ' ' ARG . 53.8 mtt-85 -65.02 -40.4 94.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.752 -1.218 . . . . 0.0 108.884 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.75 1.57 8.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.601 -0.687 . . . . 0.0 110.444 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.522 ' ND2' ' C ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -74.89 -37.69 62.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.946 -1.097 . . . . 0.0 109.176 179.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 74.8 t -69.9 -58.09 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.661 -0.65 . . . . 0.0 111.065 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.05 159.73 26.07 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.183 . . . . 0.0 110.607 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.55 69.4 2.51 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD2' ' SD ' ' A' ' 65' ' ' MET . 14.5 m0 -59.69 146.77 40.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.641 -0.917 . . . . 0.0 110.025 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 ' OD2' ' A' ' 61' ' ' ASP . 30.4 m -76.93 121.21 23.13 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -128.47 150.29 50.21 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.756 -0.59 . . . . 0.0 109.543 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.475 -0.766 . . . . 0.0 109.016 179.25 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -133.03 158.23 43.25 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.448 -0.783 . . . . 0.0 110.169 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.9 m-85 -129.41 149.71 51.08 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' CE3' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -95.03 112.04 23.79 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.019 -1.051 . . . . 0.0 109.153 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.45 -24.46 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 110.464 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.8 tpp -70.34 -15.53 62.88 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.198 -0.939 . . . . 0.0 110.258 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.5 p -99.67 -8.53 24.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.881 -1.137 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.482 ' SD ' ' CD2' ' A' ' 44' ' ' TRP . 15.6 mmt -78.58 146.57 69.78 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.083 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -41.55 155.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.677 1.585 . . . . 0.0 111.714 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.0 m -59.98 -39.92 87.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.999 -1.063 . . . . 0.0 109.192 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.34 -42.78 78.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 108.771 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.24 -38.67 91.89 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -58.84 -39.29 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.619 -0.675 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.956 -1.09 . . . . 0.0 109.002 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -62.11 -40.01 94.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.471 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.68 -49.86 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.713 -1.242 . . . . 0.0 109.022 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -60.65 -40.03 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.23 88.79 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.389 -0.819 . . . . 0.0 109.422 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 108.849 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.395 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.88 133.46 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -143.14 136.6 28.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.131 -0.98 . . . . 0.0 109.587 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.87 137.71 49.48 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.262 -0.899 . . . . 0.0 110.637 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 159.87 81.33 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.451 -0.781 . . . . 0.0 109.12 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -54.2 -35.16 81.89 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.189 1.926 . . . . 0.0 111.843 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 12.4 pt20 -60.09 -43.71 95.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.672 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 95.7 mt-10 -62.35 -41.12 98.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.279 -0.888 . . . . 0.0 108.687 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.7 -44.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 31' ' ' SER . 38.7 mmm -48.17 -25.4 1.47 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.326 -0.859 . . . . 0.0 110.147 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 -10.14 59.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.917 -1.115 . . . . 0.0 109.718 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 117.08 24.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.108 -0.995 . . . . 0.0 109.807 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 34.4 p-10 -61.62 -33.13 73.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -54.95 -29.91 52.5 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -119.4 84.29 28.57 Favored Pre-proline 0 N--CA 1.499 2.02 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.62 172.39 11.32 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.815 2.343 . . . . 0.0 112.886 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.61 160.79 24.96 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' SD ' ' A' ' 23' ' ' MET . 55.7 p -71.69 -165.86 0.18 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.029 -1.277 . . . . 0.0 108.968 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.57 -50.14 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.905 -1.122 . . . . 0.0 109.004 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.76 88.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.747 -1.221 . . . . 0.0 108.593 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.17 -41.95 71.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.47 -42.62 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.195 -1.179 . . . . 0.0 107.964 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.578 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 67.0 m80 -60.05 -38.28 82.3 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.654 -0.654 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -57.21 -49.29 76.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.16 -0.963 . . . . 0.0 108.966 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 38' ' ' ARG . 38.9 ttm-85 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.939 -1.1 . . . . 0.0 108.77 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.57 9.58 4.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.384 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -76.19 -51.73 11.52 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.877 -1.139 . . . . 0.0 109.211 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.4 -40.11 77.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.656 -0.653 . . . . 0.0 109.889 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.36 153.89 31.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.725 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.93 63.96 1.47 Allowed Glycine 0 N--CA 1.498 2.777 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -62.19 148.55 44.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -1.143 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -78.75 130.49 35.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.0 mtpm? -133.06 150.24 52.12 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.4 -0.812 . . . . 0.0 110.448 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.734 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.9 mp0 -135.19 159.23 42.19 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.827 -1.171 . . . . 0.0 111.964 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.578 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 86.0 m-85 -129.43 144.6 51.31 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' SD ' ' A' ' 65' ' ' MET . 54.7 t0 -94.99 117.02 29.44 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.841 -1.162 . . . . 0.0 109.23 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.27 -21.96 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.162 -0.961 . . . . 0.0 109.976 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.6 mmt -75.06 1.95 11.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.343 -0.848 . . . . 0.0 111.07 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 p -107.03 -27.62 10.52 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.987 -1.07 . . . . 0.0 110.456 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -82.36 155.15 69.32 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.68 -1.262 . . . . 0.0 108.543 178.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 65' ' ' MET . 87.6 Cg_exo -40.88 164.75 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.942 1.761 . . . . 0.0 111.952 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.9 p -70.23 -26.46 63.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.159 -0.963 . . . . 0.0 110.799 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.93 -42.92 95.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.944 -1.098 . . . . 0.0 110.255 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -66.4 -38.91 88.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.805 -1.184 . . . . 0.0 109.941 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -59.44 -42.99 93.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.985 . . . . 0.0 110.585 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.14 -40.01 88.33 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.929 -1.107 . . . . 0.0 108.836 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -66.87 -39.98 87.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.4 t -69.71 -44.62 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.197 -0.94 . . . . 0.0 109.494 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.56 -43.22 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.167 -0.958 . . . . 0.0 109.794 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.65 95.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.709 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -62.31 -42.1 99.08 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.205 -0.934 . . . . 0.0 108.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 109.799 179.578 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.428 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.9 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.382 0.61 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.4 mt -130.16 131.41 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.428 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 57.8 m95 -140.55 130.89 25.15 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -135.16 150.07 50.09 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.163 -0.961 . . . . 0.0 110.89 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 162.67 72.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.314 -0.866 . . . . 0.0 109.17 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.66 -27.86 76.38 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.013 1.809 . . . . 0.0 111.716 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.81 -41.98 92.44 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.848 -1.158 . . . . 0.0 108.088 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.46 -40.41 91.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.48 -46.32 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.166 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.574 ' SD ' HG22 ' A' ' 32' ' ' VAL . 89.5 mtp -47.33 -25.59 1.04 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.892 -1.13 . . . . 0.0 110.188 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.87 -8.17 59.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.975 -1.078 . . . . 0.0 109.305 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.3 118.72 24.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.101 -1.0 . . . . 0.0 109.906 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.03 -39.93 91.68 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -54.05 -16.54 6.3 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 mtt -130.07 79.09 73.62 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.465 -1.021 . . . . 0.0 108.557 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -79.71 170.57 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.74 2.294 . . . . 0.0 112.866 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.37 158.31 25.98 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 p -70.86 -166.24 0.14 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.027 -1.278 . . . . 0.0 108.711 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.574 HG22 ' SD ' ' A' ' 23' ' ' MET . 49.0 t -55.63 -48.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.82 -1.175 . . . . 0.0 108.927 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.13 84.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.074 -1.017 . . . . 0.0 109.553 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.08 94.01 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.09 -42.25 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.865 -1.373 . . . . 0.0 107.872 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.555 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 29.8 m80 -60.65 -31.04 70.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.656 -0.652 . . . . 0.0 109.811 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -59.71 -49.64 76.96 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.027 -1.045 . . . . 0.0 108.997 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.545 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 51.5 mtp180 -62.64 -40.84 98.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.91 -1.119 . . . . 0.0 109.574 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.14 40.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.828 . . . . 0.0 109.956 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.69 -48.02 42.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 108.36 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.97 -44.13 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -80.65 157.55 25.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 0.0 110.41 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.11 70.08 0.24 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -65.17 157.17 29.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -1.052 . . . . 0.0 109.633 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -79.56 118.99 21.92 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -129.06 159.9 34.47 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.934 0.873 . . . . 0.0 111.136 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 177.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -127.6 145.0 51.02 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.195 -0.941 . . . . 0.0 110.592 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.555 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.1 m-85 -119.46 140.9 49.7 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.825 -0.547 . . . . 0.0 109.612 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 18.4 p-10 -99.25 125.31 44.84 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.227 -0.92 . . . . 0.0 109.57 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.78 -18.63 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -75.72 8.39 3.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.649 -1.282 . . . . 0.0 111.07 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.8 p -107.02 -24.04 12.12 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.005 -1.059 . . . . 0.0 111.285 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -78.24 159.49 75.19 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 120.462 -1.399 . . . . 0.0 109.232 179.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.92 171.11 11.62 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.39 2.06 . . . . 0.0 111.534 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.2 p -60.76 -39.95 90.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.935 -1.103 . . . . 0.0 111.702 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -49.92 73.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 0.0 110.012 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 4.6 mp0 -67.74 -37.56 82.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.024 -1.047 . . . . 0.0 110.153 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -59.41 -39.79 84.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.572 -1.33 . . . . 0.0 109.426 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.26 -40.08 89.09 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.057 -1.027 . . . . 0.0 108.881 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -65.16 -39.59 93.15 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.214 -0.929 . . . . 0.0 108.618 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -70.21 -50.12 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.875 . . . . 0.0 109.52 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.25 -39.94 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.71 77.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.803 . . . . 0.0 109.75 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -63.15 -41.92 99.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 108.917 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.6 mt . . . . . 0 C--N 1.303 -1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 108.71 179.415 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.478 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.6 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 97.8 mt -132.47 130.55 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 44.9 m95 -141.1 140.1 34.1 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.322 -0.861 . . . . 0.0 108.837 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -130.06 139.05 51.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.296 -0.878 . . . . 0.0 110.312 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -73.04 153.25 90.82 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.476 -0.765 . . . . 0.0 108.997 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' MET . 7.1 Cg_endo -49.21 -34.98 32.69 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.957 1.771 . . . . 0.0 111.571 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.89 -47.29 86.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.03 -43.17 83.48 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.265 -0.897 . . . . 0.0 108.939 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.515 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 85.9 mt -71.38 -53.36 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.423 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PRO . 12.7 tmm? -51.29 -20.96 1.87 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.922 -1.111 . . . . 0.0 110.224 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -5.8 51.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.719 -1.238 . . . . 0.0 108.784 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.45 127.95 33.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.94 -10.23 3.43 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.515 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 5.8 mtt -130.32 81.37 68.45 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.452 -1.028 . . . . 0.0 108.699 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 60.5 Cg_endo -82.37 161.15 17.38 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 123.108 2.539 . . . . 0.0 113.484 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.62 23.49 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.242 -1.943 . . . . 0.0 108.242 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -70.42 -170.06 0.36 Allowed 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.802 -1.411 . . . . 0.0 108.643 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.79 -43.32 87.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.219 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.66 83.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.834 -1.166 . . . . 0.0 109.2 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.42 88.22 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.94 -42.34 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.244 -1.15 . . . . 0.0 108.176 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.463 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.2 m80 -60.71 -34.31 74.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.616 -0.678 . . . . 0.0 109.629 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.25 -52.6 64.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.157 -0.965 . . . . 0.0 110.045 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -70.19 -39.78 75.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.606 -1.309 . . . . 0.0 109.403 178.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.546 -1.346 . . . . 0.0 109.23 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.25 -40.06 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.434 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 95.8 mt-30 -80.05 152.52 29.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.333 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.91 58.31 5.04 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 16.1 m0 -73.2 143.3 47.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -1.159 . . . . 0.0 109.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 128.99 34.51 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -129.11 154.48 46.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.475 -0.766 . . . . 0.0 109.919 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -129.21 155.65 45.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.299 -0.876 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.463 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.1 m-85 -128.73 150.03 50.45 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -93.97 120.76 34.67 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.007 -1.058 . . . . 0.0 109.29 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.23 -33.89 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.935 . . . . 0.0 109.996 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 99.7 mtp -71.68 3.12 4.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.437 -0.789 . . . . 0.0 111.063 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 t -106.95 -26.37 11.22 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.111 -0.993 . . . . 0.0 110.434 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 66' ' ' PRO . 5.6 ptp -81.94 151.75 67.69 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.998 -1.064 . . . . 0.0 109.843 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 62.3 Cg_exo -36.28 160.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.567 2.178 . . . . 0.0 112.486 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.6 m -69.36 -31.73 70.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.471 -0.768 . . . . 0.0 110.208 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.538 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 98.2 mttt -59.84 -42.99 94.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.32 -35.58 81.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.712 -1.243 . . . . 0.0 108.711 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -59.43 -40.02 85.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 0.0 108.958 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.74 -40.68 93.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.036 -1.04 . . . . 0.0 108.383 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.09 -39.92 90.39 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -68.37 -45.46 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 108.496 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.0 -46.94 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 121.681 0.753 . . . . 0.0 109.119 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.44 74.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 109.52 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -60.08 -40.71 90.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.205 -0.935 . . . . 0.0 110.232 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 77' ' ' LEU . 8.4 mp . . . . . 0 N--CA 1.49 1.546 0 O-C-N 120.917 -1.114 . . . . 0.0 108.989 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.0 m . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.455 0.645 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -120.2 130.75 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.506 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 75.2 m95 -143.59 131.34 21.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.109 -0.994 . . . . 0.0 109.002 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.4 m -132.1 143.9 50.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.509 -0.745 . . . . 0.0 110.17 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 162.25 75.16 Favored Pre-proline 0 N--CA 1.491 1.588 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.19 -31.63 93.88 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.559 2.173 . . . . 0.0 112.243 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -59.81 -43.22 94.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 109.321 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 mp0 -62.35 -40.27 95.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.102 -0.998 . . . . 0.0 108.407 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.444 HG23 ' SD ' ' A' ' 28' ' ' MET . 95.8 mt -67.3 -47.75 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.663 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 44.7 mtm -53.07 -21.33 4.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.656 -1.277 . . . . 0.0 110.09 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.52 -10.01 59.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.93 124.82 32.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.13 -0.981 . . . . 0.0 109.469 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 25.0 p-10 -60.01 -39.5 86.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -0.846 . . . . 0.0 109.596 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.29 -24.21 44.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 22' ' ' ILE . 3.2 mtt -122.72 79.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.454 -1.027 . . . . 0.0 108.881 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -84.67 173.44 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 123.006 2.471 . . . . 0.0 112.892 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 161.96 34.56 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.6 p -71.07 -167.42 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.04 -1.271 . . . . 0.0 108.648 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' N ' ' SD ' ' A' ' 23' ' ' MET . 55.5 t -56.41 -45.65 81.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 110.274 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.526 -1.359 . . . . 0.0 109.741 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.24 -40.65 92.09 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.28 -43.84 98.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.172 -1.193 . . . . 0.0 107.991 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 24.9 m80 -62.16 -28.49 69.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.655 -0.653 . . . . 0.0 109.616 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.9 -41.89 92.63 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 60.4 mtp180 -64.4 -43.07 95.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.311 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.84 7.74 8.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.422 -0.799 . . . . 0.0 110.225 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -74.68 -51.55 14.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.309 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.98 -41.19 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.739 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.604 HE21 ' HE1' ' A' ' 44' ' ' TRP . 27.1 mt-30 -94.8 151.52 19.18 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.243 -0.911 . . . . 0.0 110.063 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.02 65.47 1.95 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.604 ' HE1' HE21 ' A' ' 42' ' ' GLN . 13.5 m0 -47.21 156.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.387 -1.066 . . . . 0.0 109.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -76.31 129.12 36.16 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -138.16 159.58 41.67 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.324 -0.86 . . . . 0.0 110.56 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.508 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.8 mp0 -128.67 158.2 39.21 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.639 0.733 . . . . 0.0 110.037 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 95.0 m-85 -120.51 143.7 48.42 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.32 110.93 22.34 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.033 -1.042 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.87 -30.04 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.112 -0.992 . . . . 0.0 109.535 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.6 ttm -69.65 -7.78 41.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 t -102.8 -14.31 16.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.479 -0.763 . . . . 0.0 108.949 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 mtt -81.08 152.06 70.84 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.398 -0.814 . . . . 0.0 109.832 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.9 168.46 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.637 1.558 . . . . 0.0 111.103 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.6 p -74.04 -31.76 63.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 0.0 111.466 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -57.61 -49.19 77.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.986 -1.071 . . . . 0.0 110.159 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 27.5 mp0 -67.42 -36.61 81.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.975 . . . . 0.0 109.333 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.44 -46.56 88.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.0 109.276 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.16 -40.11 92.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.988 . . . . 0.0 109.616 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -63.83 -39.82 95.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 0.0 110.616 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.98 -49.19 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.81 -1.181 . . . . 0.0 109.17 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.41 -38.39 77.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.159 -0.963 . . . . 0.0 109.438 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.41 69.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.519 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -59.9 -39.84 86.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.631 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.436 ' HB2' ' HE1' ' A' ' 16' ' ' TRP . 5.6 m . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.24 129.63 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.247 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CD2' ' OD1' ' A' ' 61' ' ' ASP . 61.0 m95 -140.38 123.99 17.12 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -132.31 145.83 51.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.271 -0.893 . . . . 0.0 110.176 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 160.0 83.92 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.02 -28.6 34.99 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.499 2.133 . . . . 0.0 111.906 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 19.8 pt20 -60.88 -42.0 97.09 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 78.1 mm-40 -63.66 -42.56 98.06 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.5 mt -70.07 -40.15 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.804 . . . . 0.0 108.849 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 23' ' ' MET . 13.8 tmm? -50.34 -25.41 3.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 110.24 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -4.72 47.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.07 129.65 35.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.131 -0.981 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.74 -39.99 93.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.213 -0.929 . . . . 0.0 110.23 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.32 -15.23 22.62 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.504 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 26.2 mtt -129.87 78.85 74.35 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.589 -0.948 . . . . 0.0 108.614 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -82.74 170.32 12.81 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 123.181 2.588 . . . . 0.0 113.213 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.83 166.23 23.33 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 107.6 -2.2 . . . . 0.0 107.6 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 p -69.99 -167.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.724 -1.456 . . . . 0.0 108.593 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.9 t -57.41 -50.02 78.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.089 -1.045 . . . . 0.0 108.922 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.65 77.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.913 -1.117 . . . . 0.0 108.964 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.92 45.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.79 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.903 -1.351 . . . . 0.0 108.564 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' CD2' ' HH ' ' A' ' 60' ' ' TYR . 32.9 m80 -59.97 -33.38 71.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.64 -48.71 80.61 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -60.06 -46.68 88.76 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLN . . . -76.57 1.71 16.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.964 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -75.13 -40.0 60.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.101 -0.999 . . . . 0.0 108.853 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.73 -45.5 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 39' ' ' ALA . 94.7 mm-40 -94.28 159.6 15.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.459 -0.776 . . . . 0.0 109.43 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.67 61.87 0.37 Allowed Glycine 0 N--CA 1.501 3.033 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 19.6 m0 -51.8 172.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.999 -1.294 . . . . 0.0 108.891 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 120.94 22.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -129.02 154.87 46.22 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.345 -0.847 . . . . 0.0 110.047 179.716 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -131.34 153.11 49.95 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.182 -0.949 . . . . 0.0 111.521 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HH ' ' CD2' ' A' ' 36' ' ' HIS . 52.0 m-85 -129.78 146.48 51.53 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD1' ' CD2' ' A' ' 16' ' ' TRP . 95.4 m-20 -100.25 120.63 40.2 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.84 -1.162 . . . . 0.0 111.006 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.09 -28.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 0.0 109.661 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.9 tpp -71.35 -1.7 13.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 109.837 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.3 m -101.86 -22.58 14.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 110.211 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.452 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 3.0 mpp? -79.93 149.82 70.99 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.855 -1.153 . . . . 0.0 108.99 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 71.2 Cg_exo -43.1 169.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 121.691 1.594 . . . . 0.0 111.472 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 p -69.94 -31.57 69.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.097 -1.002 . . . . 0.0 110.791 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -58.96 -48.28 82.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.826 -1.171 . . . . 0.0 110.273 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 39.5 mp0 -67.38 -32.27 73.07 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.772 -1.205 . . . . 0.0 109.084 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -59.87 -43.71 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.885 . . . . 0.0 109.207 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -40.01 87.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.77 -35.36 77.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 110.471 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.43 -50.0 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.815 -1.178 . . . . 0.0 110.3 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.7 mp -61.77 -39.01 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.913 -1.117 . . . . 0.0 109.778 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.96 93.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.886 -1.134 . . . . 0.0 109.784 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -60.04 -40.27 88.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.853 -1.154 . . . . 0.0 108.665 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.304 -1.376 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.5 m . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.61 131.57 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.417 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 50.6 m95 -139.98 129.91 24.78 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.31 141.77 50.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.425 -0.797 . . . . 0.0 109.837 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.3 157.47 89.17 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 108.688 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.23 -30.84 53.06 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.23 1.954 . . . . 0.0 112.177 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -59.83 -44.74 93.89 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.61 -40.98 93.86 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.18 -48.28 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.425 -0.797 . . . . 0.0 109.364 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.541 ' SD ' HG22 ' A' ' 32' ' ' VAL . 81.3 mtp -43.71 -31.19 0.74 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 110.843 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.48 -10.19 59.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.848 -1.157 . . . . 0.0 110.868 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.87 126.31 32.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.676 -1.265 . . . . 0.0 109.461 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.04 -40.01 87.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 109.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.409 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -53.71 -30.07 42.61 Favored Glycine 0 N--CA 1.494 2.531 0 C-N-CA 120.307 -0.949 . . . . 0.0 110.733 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -119.74 79.11 23.06 Favored Pre-proline 0 N--CA 1.503 2.196 0 O-C-N 121.28 -1.129 . . . . 0.0 109.202 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.97 163.52 20.41 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.679 2.253 . . . . 0.0 112.82 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.54 160.07 17.22 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -71.87 -163.72 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.905 -1.35 . . . . 0.0 108.995 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG22 ' SD ' ' A' ' 23' ' ' MET . 61.6 t -57.7 -53.58 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.041 -1.037 . . . . 0.0 109.329 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.69 94.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.902 -1.124 . . . . 0.0 109.666 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.23 -43.81 57.2 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.52 -42.49 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.143 -1.21 . . . . 0.0 108.351 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 54.7 m80 -60.12 -38.39 82.91 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 61.9 t80 -59.87 -43.91 94.47 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.559 -0.713 . . . . 0.0 109.653 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 70.4 ttt180 -66.22 -41.34 90.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.687 -1.258 . . . . 0.0 109.491 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.51 3.53 31.89 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.269 -0.894 . . . . 0.0 111.713 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.61 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 48.4 p30 -73.05 -39.83 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.428 -1.42 . . . . 0.0 108.524 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.61 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 51.8 t -69.97 -39.97 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 108.97 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.24 148.36 25.16 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.267 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 63.11 4.01 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.18 153.11 15.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -1.079 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -78.09 122.11 25.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.14 148.8 52.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.701 -0.625 . . . . 0.0 109.915 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.713 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 121.248 0.547 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 49.4 mp0 -130.6 151.45 51.05 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.472 -0.768 . . . . 0.0 109.754 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.0 m-85 -120.09 143.59 48.06 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 65' ' ' MET . 63.3 t0 -90.77 114.07 26.35 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.97 -1.081 . . . . 0.0 108.947 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.05 -31.6 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.038 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.1 mtp -72.32 3.86 4.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.943 . . . . 0.0 109.898 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 t -101.0 -20.31 15.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.167 -0.958 . . . . 0.0 109.252 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -80.48 149.99 69.49 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.138 -0.976 . . . . 0.0 109.568 179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -39.25 158.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.35 2.033 . . . . 0.0 112.455 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -60.66 -40.13 90.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.101 -0.999 . . . . 0.0 110.691 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.31 -50.08 74.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.603 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 12.6 mp0 -64.45 -36.85 85.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.919 -1.113 . . . . 0.0 108.751 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -58.97 -43.83 91.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.305 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.62 -39.99 95.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.69 -39.98 94.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 110.358 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.9 t -68.62 -43.99 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.721 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.08 -40.04 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.866 . . . . 0.0 109.561 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.152 -0.968 . . . . 0.0 108.578 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -64.95 -39.78 94.02 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -0.908 . . . . 0.0 109.106 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.098 -1.002 . . . . 0.0 110.007 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.492 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.2 m . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.7 mm -117.5 126.62 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.402 -0.811 . . . . 0.0 109.322 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.492 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 77.4 m95 -144.58 130.18 19.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.087 -1.008 . . . . 0.0 108.287 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -126.86 132.25 51.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.376 -0.827 . . . . 0.0 109.833 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.63 151.34 84.85 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.229 -0.919 . . . . 0.0 110.097 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.04 -31.71 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.593 2.195 . . . . 0.0 113.28 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.94 -40.79 90.18 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.991 -1.068 . . . . 0.0 108.719 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.72 -43.01 73.23 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 109.261 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.97 -51.32 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.102 -0.999 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.556 ' SD ' HG22 ' A' ' 32' ' ' VAL . 85.8 mtp -46.58 -31.21 2.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 110.403 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.99 -7.38 59.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.932 -1.105 . . . . 0.0 109.662 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.5 128.14 34.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.027 -1.046 . . . . 0.0 109.85 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -0.797 . . . . 0.0 109.503 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.18 -31.38 59.11 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -122.08 79.5 42.95 Favored Pre-proline 0 N--CA 1.501 2.125 0 O-C-N 121.276 -1.132 . . . . 0.0 109.23 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -84.31 173.7 8.57 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 123.109 2.539 . . . . 0.0 112.568 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.08 166.65 32.88 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 p -70.08 -169.62 0.29 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.142 -1.211 . . . . 0.0 108.808 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.556 HG22 ' SD ' ' A' ' 23' ' ' MET . 63.7 t -54.61 -45.23 71.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.691 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.91 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.688 -1.257 . . . . 0.0 109.965 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.14 -40.92 84.89 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.5 t -63.83 -41.65 93.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.464 -1.021 . . . . 0.0 108.582 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 40' ' ' ASN . 32.3 m80 -62.66 -28.79 70.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.545 -0.722 . . . . 0.0 109.164 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -58.85 -49.99 75.68 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 38' ' ' ARG . 47.1 mtt-85 -62.79 -39.95 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.822 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -84.06 -2.55 56.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.429 -0.794 . . . . 0.0 110.498 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' HIS . 21.6 t-20 -76.58 -50.9 12.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.922 -1.111 . . . . 0.0 108.599 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -46.82 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 121.319 0.58 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -79.85 148.42 31.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.4 64.48 4.16 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 26.6 m0 -63.87 152.69 39.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.388 -1.066 . . . . 0.0 109.004 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.14 128.12 34.77 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -132.6 150.21 52.19 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.274 -0.891 . . . . 0.0 110.926 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.643 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.5 2.06 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 55.4 mp0 -133.53 155.69 49.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.482 -0.761 . . . . 0.0 110.059 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.523 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.6 m-85 -119.95 139.91 51.73 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -87.72 110.39 20.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.822 -1.174 . . . . 0.0 108.873 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.16 -15.02 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.205 -0.935 . . . . 0.0 110.696 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 tpt -73.72 -9.25 58.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.307 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -109.23 -9.13 15.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.29 -0.881 . . . . 0.0 110.934 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.609 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.6 mtm -80.01 149.96 70.97 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 120.676 -1.265 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.66 164.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.319 2.012 . . . . 0.0 111.892 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -72.61 -34.87 67.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 110.113 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.59 -46.11 89.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.855 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.7 -39.95 95.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.854 -1.154 . . . . 0.0 108.871 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -59.98 -40.21 88.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.15 -0.969 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.08 87.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.617 -1.302 . . . . 0.0 109.189 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -67.0 -37.6 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.447 -0.783 . . . . 0.0 109.85 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.14 -46.41 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 109.915 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.97 -39.96 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.219 -0.926 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.47 -40.27 82.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.995 -1.065 . . . . 0.0 109.519 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 7.0 t60 -66.76 -40.14 88.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 109.598 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.489 1.492 0 O-C-N 120.501 -1.375 . . . . 0.0 107.951 179.269 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.44 ' HB3' ' HE1' ' A' ' 16' ' ' TRP . 1.4 m . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.0 mp -133.87 125.51 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.355 -0.84 . . . . 0.0 110.219 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 42.4 m95 -147.49 129.85 15.73 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.2 m -134.91 148.19 50.01 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.18 -0.95 . . . . 0.0 110.477 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.04 164.04 64.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.65 -26.94 75.76 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.185 1.923 . . . . 0.0 111.434 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.03 -43.29 95.42 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.79 -40.01 79.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.886 . . . . 0.0 108.759 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.84 -54.69 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.54 -0.725 . . . . 0.0 110.704 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -55.09 -19.94 8.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.683 -1.261 . . . . 0.0 109.712 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -9.96 59.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 129.32 34.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.739 -0.601 . . . . 0.0 109.653 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 26.7 p-10 -60.76 -25.2 66.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.178 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.57 -32.09 72.57 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmt -119.38 93.31 47.05 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.604 -0.939 . . . . 0.0 109.23 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.86 156.21 23.8 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.958 1.772 . . . . 0.0 111.947 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.28 160.02 16.19 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -74.82 -158.67 0.08 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.926 -1.338 . . . . 0.0 109.889 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 -55.9 20.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.26 93.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.84 -1.162 . . . . 0.0 109.685 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -43.18 54.12 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.161 -1.575 . . . . 0.0 109.161 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.01 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -1.161 . . . . 0.0 108.61 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 54.0 m80 -61.8 -38.58 88.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -54.0 -57.77 9.79 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.306 -0.871 . . . . 0.0 109.763 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.49 -39.85 85.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.846 -1.159 . . . . 0.0 109.433 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.03 35.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.328 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.67 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.893 -1.129 . . . . 0.0 109.735 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.32 -39.97 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 0.0 108.997 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -84.36 152.79 23.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.312 -0.868 . . . . 0.0 109.337 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.79 55.33 2.27 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 41.6 m0 -72.08 149.96 44.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.111 -1.229 . . . . 0.0 109.284 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -76.99 130.68 37.81 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -134.43 157.42 46.5 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.339 -0.851 . . . . 0.0 110.976 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 32.1 ptt180 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 59' ' ' GLU . 6.0 p . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 96.5 mt-10 -131.21 154.81 48.03 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.083 -1.011 . . . . 0.0 111.017 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 23.7 m-85 -124.72 140.02 53.32 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 30.2 p-10 -96.15 131.1 42.95 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.85 -1.156 . . . . 0.0 110.282 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 16.1 t -69.16 -20.01 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.425 -0.797 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.4 tpt -70.01 -9.91 56.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.507 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.406 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 91.5 p -107.45 -11.54 15.49 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.186 -0.946 . . . . 0.0 109.982 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.599 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 6.9 mtm -78.69 139.11 58.23 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.976 -1.078 . . . . 0.0 109.656 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.56 166.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.79 1.66 . . . . 0.0 112.116 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 p -64.93 -39.18 93.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.176 -0.952 . . . . 0.0 110.973 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.07 -48.54 75.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.811 -1.181 . . . . 0.0 109.606 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 1.3 mp0 -64.86 -38.61 91.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.974 -1.079 . . . . 0.0 108.822 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 62' ' ' VAL . 23.9 ttm-85 -59.33 -42.71 92.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.426 -0.796 . . . . 0.0 109.7 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 108.904 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.85 -32.98 74.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.557 -0.715 . . . . 0.0 110.689 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.671 -1.268 . . . . 0.0 109.278 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.02 -39.74 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.33 88.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.522 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -60.76 -48.85 79.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -0.999 . . . . 0.0 109.533 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 77' ' ' LEU . 7.3 mp . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.063 -1.023 . . . . 0.0 109.064 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -129.94 130.04 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -140.04 135.39 32.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.7 m -129.97 137.63 50.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.289 -0.882 . . . . 0.0 110.106 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -72.36 154.46 91.89 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.44 -34.1 60.0 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.932 1.755 . . . . 0.0 111.926 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.08 -44.99 94.38 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.042 -1.036 . . . . 0.0 108.345 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.06 -40.37 89.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.208 -0.932 . . . . 0.0 108.552 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.12 -47.2 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 108.81 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 89.5 mtp -48.47 -20.33 0.41 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.023 -1.048 . . . . 0.0 109.773 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.77 -10.09 59.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 109.385 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.83 124.17 32.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.386 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 39.2 p-10 -61.01 -38.25 85.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 0.0 109.878 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -55.8 -21.3 29.22 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mtt -123.82 80.06 56.47 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.291 -1.123 . . . . 0.0 109.33 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.58 167.26 17.14 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.952 2.435 . . . . 0.0 113.134 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.09 27.76 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.9 p -71.14 -168.54 0.3 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.304 -1.115 . . . . 0.0 108.737 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.07 -46.79 84.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 109.894 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.7 87.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.842 -1.161 . . . . 0.0 109.678 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.68 90.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.63 -40.3 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.247 -1.149 . . . . 0.0 108.549 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.552 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 23.9 m80 -62.18 -39.23 91.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.54 -0.725 . . . . 0.0 109.849 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.78 -49.86 75.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.312 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 38' ' ' ARG . 32.2 ttt-85 -60.76 -49.85 75.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.07 -1.019 . . . . 0.0 109.362 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.97 11.04 2.9 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.387 -0.821 . . . . 0.0 110.291 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -73.24 -40.17 64.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.994 . . . . 0.0 109.445 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.34 -46.59 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.548 -0.72 . . . . 0.0 109.66 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -85.92 156.41 20.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.431 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 68.77 0.72 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 29.0 m0 -58.08 158.29 7.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.387 -1.067 . . . . 0.0 109.82 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 m -75.87 120.01 20.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -133.87 148.65 51.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.69 -0.631 . . . . 0.0 110.172 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.348 -0.845 . . . . 0.0 108.917 178.103 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -134.13 157.67 45.58 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.552 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.3 m-85 -127.29 144.51 51.03 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -90.72 117.1 29.09 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.905 -1.122 . . . . 0.0 108.758 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.18 -28.09 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.01 -1.056 . . . . 0.0 110.259 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.3 mmm -71.32 7.24 1.39 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.076 -1.015 . . . . 0.0 110.265 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.5 m -114.09 -16.66 12.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.373 -0.83 . . . . 0.0 109.912 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.8 mtm -80.0 146.05 62.63 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.075 -1.015 . . . . 0.0 110.504 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -42.29 161.57 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.18 1.92 . . . . 0.0 112.166 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.456 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 91.2 m -61.07 -39.95 91.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.137 -0.977 . . . . 0.0 110.356 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.86 -47.73 83.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.997 -1.065 . . . . 0.0 110.051 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.5 -41.04 89.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 85.9 mtm180 -60.11 -40.11 88.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.209 -0.932 . . . . 0.0 109.834 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.975 -1.078 . . . . 0.0 109.729 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -34.74 78.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.94 -49.98 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.99 -1.069 . . . . 0.0 109.815 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.3 mp -61.55 -42.22 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.909 -1.119 . . . . 0.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 109.509 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.94 -48.66 80.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.102 -0.999 . . . . 0.0 108.562 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.249 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.44 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.1 m . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 89.5 mt -131.83 130.25 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.463 -0.773 . . . . 0.0 108.915 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 49.2 m95 -141.69 133.95 27.9 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.911 . . . . 0.0 108.942 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.7 m -134.66 148.03 50.27 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.31 -0.869 . . . . 0.0 110.493 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.84 170.01 18.36 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.35 -29.7 16.55 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.903 1.735 . . . . 0.0 111.461 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.07 -46.6 89.02 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.68 -41.06 94.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.437 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 92.7 mt -69.77 -41.97 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.3 mmm -50.03 -20.38 0.94 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.144 -0.972 . . . . 0.0 109.598 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.05 -9.97 59.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.011 -1.056 . . . . 0.0 109.392 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.55 119.09 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.137 -0.977 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' MET . 48.1 t0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.145 -0.972 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.42 -12.88 0.64 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.437 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 3.7 mtt -130.01 82.38 66.48 Favored Pre-proline 0 N--CA 1.503 2.183 0 O-C-N 121.259 -1.142 . . . . 0.0 109.512 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.71 168.07 19.89 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.659 2.239 . . . . 0.0 113.098 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.01 159.42 24.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 p -70.96 -166.97 0.17 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.924 -1.339 . . . . 0.0 108.617 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.7 -49.23 81.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.922 -1.111 . . . . 0.0 108.458 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.85 85.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.952 -1.093 . . . . 0.0 109.391 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.73 -39.91 87.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -63.45 -41.49 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -1.169 . . . . 0.0 108.262 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 33.7 m80 -60.15 -36.84 78.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.54 -0.725 . . . . 0.0 109.631 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.73 -48.27 80.08 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.338 -0.851 . . . . 0.0 109.135 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.74 -45.48 89.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.905 -1.122 . . . . 0.0 108.57 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.65 0.42 12.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.386 -0.821 . . . . 0.0 109.59 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.11 -47.46 28.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.164 -0.96 . . . . 0.0 108.774 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -41.28 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.666 -0.646 . . . . 0.0 109.71 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -79.99 159.37 26.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 0.0 109.741 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.06 62.43 1.05 Allowed Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CZ2' ' SD ' ' A' ' 65' ' ' MET . 14.3 m0 -67.65 147.61 52.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -1.119 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -76.77 122.99 25.53 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -130.26 152.02 50.13 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.502 -0.749 . . . . 0.0 109.92 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.601 HH11 ' CB ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.853 . . . . 0.0 109.35 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -135.23 146.02 48.22 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 120.788 -1.195 . . . . 0.0 111.417 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 84.2 m-85 -127.7 139.34 52.76 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -92.49 109.89 21.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.529 -1.357 . . . . 0.0 108.912 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.489 HG23 ' CE ' ' A' ' 65' ' ' MET . 9.8 p -67.47 -23.89 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.231 -0.918 . . . . 0.0 110.516 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.1 tpp -70.92 -10.93 60.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 110.629 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.7 t -99.41 -12.85 19.88 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.743 -1.223 . . . . 0.0 109.383 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.539 ' SD ' ' CZ2' ' A' ' 44' ' ' TRP . 20.8 ttp -81.58 130.65 60.73 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.222 -0.923 . . . . 0.0 108.654 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 65' ' ' MET . 28.6 Cg_exo -35.95 157.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.12 1.88 . . . . 0.0 112.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.5 m -62.44 -39.99 95.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 111.912 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -51.19 -59.59 4.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.683 -1.26 . . . . 0.0 110.884 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.3 mp0 -62.92 -37.65 87.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.645 -1.284 . . . . 0.0 110.154 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -59.2 -40.62 86.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.043 -1.036 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -60.02 -40.79 90.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -64.35 -39.4 93.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.976 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.03 -42.76 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.973 -1.08 . . . . 0.0 109.137 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.19 -39.9 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.09 -1.006 . . . . 0.0 109.099 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.0 65.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 108.819 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.27 -36.37 83.88 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.847 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.422 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.457 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 84.1 mt -133.5 134.09 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 60.7 m95 -146.11 131.65 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.216 -0.927 . . . . 0.0 108.845 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -132.73 148.39 52.33 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.406 -0.809 . . . . 0.0 110.329 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.48 167.45 32.78 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.09 -24.46 32.7 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.836 1.69 . . . . 0.0 111.411 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.0 -41.7 77.46 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.07 -48.86 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.375 -0.828 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -51.59 -27.5 11.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.169 -0.957 . . . . 0.0 110.651 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.3 -7.03 58.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.685 -1.259 . . . . 0.0 109.234 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.9 124.77 30.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.008 -1.058 . . . . 0.0 109.587 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -62.78 -26.63 68.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.446 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.64 52.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmt -131.54 80.02 67.87 Favored Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.561 -0.964 . . . . 0.0 108.623 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.28 156.1 37.3 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.098 1.866 . . . . 0.0 112.532 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.79 159.18 11.23 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.7 p -70.9 -164.13 0.09 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.906 -1.349 . . . . 0.0 109.148 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.85 -54.91 23.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 108.448 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.93 93.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.51 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.48 -42.37 43.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.61 -42.28 95.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 51.9 m80 -61.0 -36.85 80.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.708 -0.62 . . . . 0.0 109.618 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -59.75 -50.13 75.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 110.33 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.39 -40.07 93.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.973 -1.079 . . . . 0.0 108.811 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.46 -0.93 19.06 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.408 -0.807 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.01 -52.18 10.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.248 -0.908 . . . . 0.0 109.463 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.91 -40.03 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.218 -0.926 . . . . 0.0 109.114 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -76.84 154.77 33.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.187 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.56 63.6 1.61 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 15.1 m0 -69.44 150.9 46.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.157 -1.202 . . . . 0.0 109.211 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 126.01 30.18 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -134.43 150.59 50.86 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.411 -0.806 . . . . 0.0 110.535 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.494 -0.753 . . . . 0.0 109.223 178.618 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -132.29 153.67 50.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.459 -0.776 . . . . 0.0 109.443 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 82.6 m-85 -124.12 140.16 53.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 109.34 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.74 111.51 23.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.235 -0.915 . . . . 0.0 109.309 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.51 -19.53 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.429 ' HA ' HH12 ' A' ' 70' ' ' ARG . 96.4 mmm -70.48 -3.58 18.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 109.323 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 p -109.96 -18.64 13.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.434 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 32.1 mtt -79.97 150.1 71.33 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.221 -0.925 . . . . 0.0 109.74 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.72 158.52 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.957 1.771 . . . . 0.0 111.823 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -63.59 -40.12 96.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 109.772 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.83 -42.39 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.931 . . . . 0.0 109.052 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.064 -1.022 . . . . 0.0 108.771 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.429 HH12 ' HA ' ' A' ' 63' ' ' MET . 24.3 ttm-85 -59.92 -44.74 94.12 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.453 0.644 . . . . 0.0 109.426 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.17 -39.98 88.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.689 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -63.06 -39.38 94.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 0.0 109.434 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.36 -45.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 108.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.13 -39.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.423 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.07 68.12 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.937 -1.102 . . . . 0.0 108.127 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -62.97 -41.25 99.49 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--N 1.307 -1.261 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 178.083 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.8 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 19.6 tt -131.14 130.35 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 CA-C-O 121.675 0.75 . . . . 0.0 109.888 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.472 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.4 m95 -144.99 129.53 17.98 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 m -133.43 143.19 48.71 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.161 -0.962 . . . . 0.0 111.247 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 m -77.92 152.48 79.91 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.02 -33.56 2.28 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.477 2.118 . . . . 0.0 113.4 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.84 -45.86 91.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.804 -1.185 . . . . 0.0 108.123 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.87 -42.46 97.51 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.468 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.33 -48.52 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.975 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -51.1 -20.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.87 -1.144 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.26 -10.08 59.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.047 -1.033 . . . . 0.0 109.265 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.12 121.52 28.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -0.926 . . . . 0.0 108.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.21 -39.88 88.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 110.149 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.74 -16.46 23.65 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mtt -125.82 76.81 70.67 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.475 -1.015 . . . . 0.0 108.401 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -84.26 175.66 7.17 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.264 2.643 . . . . 0.0 113.432 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 165.67 38.4 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -71.52 -170.8 0.56 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.086 -1.243 . . . . 0.0 108.386 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.35 -41.11 60.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.91 -1.119 . . . . 0.0 109.521 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.74 86.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.758 -1.214 . . . . 0.0 109.273 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.16 97.72 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.34 -43.31 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.541 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 26.0 m80 -60.81 -33.17 72.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.832 -0.542 . . . . 0.0 109.806 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.136 -0.978 . . . . 0.0 109.482 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -65.46 -40.69 93.49 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.669 -1.212 . . . . 0.0 108.006 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -0.93 19.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.674 -0.641 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -75.24 -52.31 11.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 108.448 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.03 -41.16 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' CB ' ' HE1' ' A' ' 44' ' ' TRP . 95.9 mm-40 -84.8 152.88 23.33 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.329 -0.857 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.23 70.49 0.29 Allowed Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 4.3 m0 -67.5 170.79 6.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.954 -1.321 . . . . 0.0 108.08 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.462 ' H ' ' CB ' ' A' ' 64' ' ' SER . 1.3 m -73.61 131.7 41.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -135.85 160.04 39.8 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.152 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.18 160.73 39.11 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.854 -1.154 . . . . 0.0 112.508 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.541 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 53.0 m-85 -128.35 143.13 50.97 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -99.76 124.17 44.76 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.856 -1.152 . . . . 0.0 110.036 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.27 -30.0 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.404 -0.81 . . . . 0.0 111.822 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.1 mmt -70.58 14.27 0.14 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.896 -1.127 . . . . 0.0 111.583 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.462 ' CB ' ' H ' ' A' ' 45' ' ' THR . 18.4 m -117.27 -24.77 7.31 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.245 -0.91 . . . . 0.0 110.029 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 66' ' ' PRO . 9.8 ptp -80.54 151.8 72.08 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.118 -0.989 . . . . 0.0 109.659 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' MET . 11.8 Cg_exo -40.62 167.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.032 1.821 . . . . 0.0 111.788 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -70.0 -29.41 66.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 110.15 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.8 -50.07 73.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.087 -1.008 . . . . 0.0 110.139 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 49.7 mp0 -69.09 -31.83 70.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.913 -1.117 . . . . 0.0 109.477 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.89 -41.45 91.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.122 -0.986 . . . . 0.0 109.243 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -40.03 94.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 109.481 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -59.89 -39.83 86.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.321 -0.862 . . . . 0.0 109.348 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.96 -46.61 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.795 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.14 -40.12 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.13 -0.982 . . . . 0.0 110.381 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.34 93.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.019 -1.051 . . . . 0.0 110.4 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.75 -44.66 95.63 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.83 -1.169 . . . . 0.0 108.415 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.21 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.478 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.9 mp -133.94 131.24 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.344 -0.848 . . . . 0.0 109.157 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 46.6 m95 -146.04 130.92 18.13 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -139.8 151.77 46.01 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.096 -1.003 . . . . 0.0 111.199 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.64 161.25 76.97 Favored Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.57 -25.4 78.69 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.398 2.065 . . . . 0.0 112.341 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.99 -43.95 94.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.574 -1.329 . . . . 0.0 108.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.47 -42.91 97.21 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.446 HG23 ' SD ' ' A' ' 28' ' ' MET . 80.6 mt -66.8 -48.81 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.425 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.564 ' SD ' HG22 ' A' ' 32' ' ' VAL . 90.4 mtp -47.76 -22.91 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.808 -1.183 . . . . 0.0 110.849 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.525 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -78.76 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.797 -1.189 . . . . 0.0 110.223 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.19 128.73 34.78 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.093 -1.004 . . . . 0.0 109.435 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.75 -39.89 93.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.2 -11.72 10.03 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.446 ' SD ' HG23 ' A' ' 22' ' ' ILE . 16.6 mtt -129.34 77.2 77.86 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -1.161 . . . . 0.0 108.483 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -84.89 170.33 9.97 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 123.148 2.565 . . . . 0.0 113.792 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.39 163.98 31.91 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -69.83 -167.56 0.15 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.024 -1.28 . . . . 0.0 108.827 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG22 ' SD ' ' A' ' 23' ' ' MET . 60.5 t -55.19 -43.79 72.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.649 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.94 82.04 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.849 -1.157 . . . . 0.0 109.21 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.11 98.02 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.22 -41.6 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.956 -1.32 . . . . 0.0 107.987 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 31.5 m80 -61.71 -31.4 71.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.23 -40.97 83.06 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' O ' ' OE1' ' A' ' 42' ' ' GLN . 13.0 mmm180 -61.85 -44.19 97.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.146 -0.971 . . . . 0.0 109.412 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.8 3.42 25.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.17 -0.956 . . . . 0.0 110.128 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -78.21 -50.19 12.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.023 -1.048 . . . . 0.0 109.448 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.45 -49.0 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.558 -0.714 . . . . 0.0 109.717 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 38' ' ' ARG . 28.1 mp0 -83.19 151.55 25.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.247 -0.908 . . . . 0.0 109.911 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.51 65.37 2.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -59.93 159.69 8.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.303 -1.116 . . . . 0.0 108.846 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.3 m -77.35 118.06 19.45 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -129.64 150.37 50.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.582 -177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.278 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -130.99 155.95 45.94 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.107 -0.996 . . . . 0.0 111.222 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.533 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.8 m-85 -127.54 142.39 51.39 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -99.87 115.79 30.44 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.089 -1.007 . . . . 0.0 109.308 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -66.4 -13.13 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.585 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.8 mtp -73.74 -8.26 55.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.863 -1.148 . . . . 0.0 110.655 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -106.34 -18.49 13.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.166 -0.959 . . . . 0.0 109.421 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 mtp -80.28 146.88 63.26 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.407 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.25 170.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.508 1.472 . . . . 0.0 111.467 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.9 p -71.62 -34.15 69.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.442 -0.786 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.39 -49.71 76.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.991 -1.068 . . . . 0.0 110.624 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -65.73 -40.17 91.89 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.681 -1.262 . . . . 0.0 110.271 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.84 -46.35 89.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.962 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.12 -36.34 77.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.64 -39.92 94.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.12 -0.987 . . . . 0.0 111.023 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -68.75 -51.79 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.836 -1.165 . . . . 0.0 110.313 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.6 mp -59.97 -38.49 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.042 . . . . 0.0 108.635 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.64 92.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.872 . . . . 0.0 109.936 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 5.4 t60 -65.21 -40.02 93.56 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.976 -1.078 . . . . 0.0 109.183 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.298 -1.667 0 O-C-N 120.667 -1.27 . . . . 0.0 108.472 179.522 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.332 0.587 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.6 mt -130.07 130.16 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -140.28 137.17 33.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.388 -0.82 . . . . 0.0 108.876 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.7 m -136.23 148.89 48.29 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.05 164.0 64.22 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 108.737 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.92 -34.89 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.98 -44.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.004 -1.06 . . . . 0.0 108.855 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -42.1 99.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.0 109.209 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -70.56 -51.12 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 0.0 109.67 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 23' ' ' MET . 6.5 tmm? -49.91 -20.12 0.83 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.14 -5.48 56.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.858 -1.151 . . . . 0.0 108.538 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.65 127.99 33.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.529 -0.732 . . . . 0.0 109.228 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.2 p-10 -60.12 -38.93 84.51 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.328 -0.857 . . . . 0.0 110.177 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -57.33 -14.84 13.63 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.487 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 22.6 mtt -129.25 82.08 68.97 Favored Pre-proline 0 N--CA 1.499 1.989 0 O-C-N 121.372 -1.075 . . . . 0.0 108.897 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.17 166.17 14.51 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.867 2.378 . . . . 0.0 113.165 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.19 162.85 27.52 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 -168.47 0.18 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.792 -1.417 . . . . 0.0 108.256 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.57 -44.36 80.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.09 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.64 85.9 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.978 -1.076 . . . . 0.0 109.562 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.89 91.25 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.0 t -62.25 -41.5 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -1.187 . . . . 0.0 108.169 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.1 m80 -62.6 -39.67 94.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.776 -0.578 . . . . 0.0 110.235 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -55.57 -45.63 77.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.842 -1.161 . . . . 0.0 108.35 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -62.03 -48.33 80.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.0 109.021 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 3.98 1.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.438 -0.789 . . . . 0.0 110.208 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.73 -47.49 53.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.21 -43.95 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.602 -0.686 . . . . 0.0 109.635 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -84.88 151.95 23.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.316 -0.865 . . . . 0.0 109.979 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.2 65.85 0.36 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -58.82 150.38 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.034 -1.274 . . . . 0.0 108.712 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 45' ' ' THR . 9.8 t -78.63 127.98 32.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 108.244 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -126.24 152.07 46.59 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.47 0.653 . . . . 0.0 109.975 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -130.69 159.56 36.87 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 37.8 m-85 -125.75 140.51 52.63 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -79.09 123.11 27.03 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.863 -1.148 . . . . 0.0 109.274 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.12 -36.29 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.72 5.39 2.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 0.0 110.448 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -104.98 -21.94 13.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.261 -0.899 . . . . 0.0 110.107 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptp -80.12 152.21 73.66 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.002 -1.061 . . . . 0.0 108.982 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.39 169.04 0.23 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.123 1.882 . . . . 0.0 111.92 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -68.39 -36.83 79.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.321 -0.862 . . . . 0.0 111.437 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.65 -49.51 76.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.727 -1.233 . . . . 0.0 109.631 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.83 -37.68 84.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.891 -1.131 . . . . 0.0 109.356 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.7 -42.82 89.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.598 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.92 87.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.838 -1.164 . . . . 0.0 108.951 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -64.61 -39.6 94.01 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 109.224 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.45 -48.99 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.199 -0.938 . . . . 0.0 109.151 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.97 81.44 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.054 -1.029 . . . . 0.0 109.159 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -60.29 -50.03 75.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.011 -1.055 . . . . 0.0 109.201 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 77' ' ' LEU . 7.9 mp . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.058 -1.026 . . . . 0.0 108.986 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.8 mm -121.61 132.08 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -142.78 130.37 21.33 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.1 m -136.29 148.25 47.88 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.141 -0.974 . . . . 0.0 110.932 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 158.94 82.94 Favored Pre-proline 0 N--CA 1.497 1.903 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.61 -24.89 64.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.329 2.019 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.21 -44.63 94.99 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -62.33 -42.16 99.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.16 -45.9 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.4 mmm -51.2 -20.43 1.56 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.505 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -79.44 -10.29 59.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.827 -1.17 . . . . 0.0 109.622 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.02 122.59 31.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.259 -0.901 . . . . 0.0 109.113 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -60.19 -39.61 87.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -0.929 . . . . 0.0 109.448 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.17 -21.25 3.95 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -121.01 79.16 33.21 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.098 -1.236 . . . . 0.0 109.281 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.92 167.2 22.42 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.879 2.386 . . . . 0.0 113.095 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.52 160.23 23.08 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 p -70.75 -165.39 0.11 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.759 -1.436 . . . . 0.0 108.505 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.48 -48.46 85.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.007 -1.058 . . . . 0.0 109.429 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.34 90.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.808 -1.182 . . . . 0.0 110.335 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.98 91.06 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.36 -39.54 81.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.534 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 27.6 m80 -69.9 -24.7 63.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.694 -0.629 . . . . 0.0 109.867 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -59.82 -52.55 64.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.974 -1.079 . . . . 0.0 109.942 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -69.84 -34.93 74.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.145 -0.972 . . . . 0.0 110.432 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.62 -8.38 56.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 0.0 110.189 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -72.89 -44.19 61.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.147 -0.971 . . . . 0.0 109.659 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.23 -44.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -82.22 151.79 26.69 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.916 . . . . 0.0 109.6 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.64 61.86 3.45 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -58.21 156.25 10.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.162 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.2 m -78.33 114.3 17.1 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -132.36 157.19 45.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.303 -0.873 . . . . 0.0 109.883 -177.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 108.816 178.526 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.5 2.059 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -129.36 150.62 50.65 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 121.956 0.884 . . . . 0.0 111.455 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.534 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 66.2 m-85 -124.2 137.68 54.5 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' SD ' ' A' ' 65' ' ' MET . 59.8 t0 -92.7 110.11 21.54 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.886 -1.133 . . . . 0.0 109.092 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 64' ' ' SER . 85.1 t -64.38 -33.97 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.181 -0.95 . . . . 0.0 110.641 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.538 ' SD ' ' NH2' ' A' ' 70' ' ' ARG . 80.0 mmm -69.58 14.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.188 . . . . 0.0 110.218 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 62' ' ' VAL . 15.2 t -113.08 -24.55 9.4 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.446 -0.783 . . . . 0.0 109.765 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 65' ' ' MET . 2.2 mpt? -79.91 151.59 73.63 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.014 -1.054 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' MET . 91.2 Cg_exo -40.5 166.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.729 1.619 . . . . 0.0 111.65 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -68.97 -31.8 70.92 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 110.334 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.61 -50.79 72.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.528 -1.358 . . . . 0.0 110.722 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -68.17 -39.86 82.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.601 -1.312 . . . . 0.0 109.99 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.538 ' NH2' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 109.681 -179.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.72 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.76 -37.03 85.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.061 -1.024 . . . . 0.0 110.301 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.46 -48.49 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.922 -1.111 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.49 -40.82 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.987 -1.071 . . . . 0.0 109.235 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.74 81.63 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.129 -0.982 . . . . 0.0 109.512 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 24.3 t60 -60.51 -38.53 84.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.104 -0.997 . . . . 0.0 108.628 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.045 . . . . 0.0 108.967 179.498 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.423 ' HB2' ' HE1' ' A' ' 16' ' ' TRP . 13.9 m . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mm -113.92 129.76 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.386 -0.821 . . . . 0.0 109.033 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.423 ' HE1' ' HB2' ' A' ' 14' ' ' SER . 89.0 m95 -143.42 130.34 20.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.261 -0.899 . . . . 0.0 108.639 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.1 m -130.02 139.8 50.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.414 -0.804 . . . . 0.0 109.662 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.68 176.66 3.18 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 109.003 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -65.81 -30.03 49.94 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.046 1.831 . . . . 0.0 112.65 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.46 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 27.7 mp0 -60.05 -41.54 92.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.989 -1.069 . . . . 0.0 109.559 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -67.63 -40.07 84.65 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.657 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.435 HG23 ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -69.56 -51.88 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.422 -0.798 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 70.4 mtm -53.33 -23.3 8.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.563 -1.335 . . . . 0.0 110.226 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.85 59.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.868 -1.145 . . . . 0.0 109.214 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.28 126.98 33.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.215 -0.928 . . . . 0.0 110.05 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -60.91 -36.41 79.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 109.579 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -57.46 -27.02 57.81 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.435 ' SD ' HG23 ' A' ' 22' ' ' ILE . 49.4 mtt -128.43 81.5 70.46 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.347 -1.09 . . . . 0.0 109.118 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.15 173.92 9.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.96 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.5 162.7 32.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.433 ' C ' ' SD ' ' A' ' 23' ' ' MET . 91.9 p -70.61 -167.38 0.18 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.144 -1.209 . . . . 0.0 108.976 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.61 ' N ' ' SD ' ' A' ' 23' ' ' MET . 66.4 t -56.46 -47.34 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.321 -0.862 . . . . 0.0 109.721 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.62 86.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.701 -1.249 . . . . 0.0 109.46 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.29 93.71 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.54 -40.06 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.287 -1.125 . . . . 0.0 108.211 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 41.7 m80 -64.6 -31.05 72.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.694 -0.629 . . . . 0.0 109.883 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.87 -47.53 85.36 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.0 . . . . 0.0 109.043 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 43.1 ttm180 -63.0 -43.06 99.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.922 -1.111 . . . . 0.0 109.152 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.75 2.65 7.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.845 . . . . 0.0 110.073 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.34 -43.71 55.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.173 -0.954 . . . . 0.0 109.488 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.0 -40.87 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.665 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.0 159.44 14.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.094 -1.004 . . . . 0.0 110.207 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.23 70.6 0.89 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 15.9 m0 -55.8 152.58 9.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.512 -0.993 . . . . 0.0 109.998 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 m -77.02 126.21 30.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -133.77 151.36 51.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.424 -0.797 . . . . 0.0 110.39 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.588 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.33 158.2 38.87 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.9 m-85 -120.78 141.66 50.3 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.66 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -95.76 112.92 24.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.998 -1.064 . . . . 0.0 109.234 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.89 -20.51 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.0 110.037 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.6 mmm -72.03 -1.59 15.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.121 -0.987 . . . . 0.0 109.914 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 m -111.92 -19.17 12.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.395 -0.816 . . . . 0.0 109.676 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 47.9 mtm -80.28 151.72 72.71 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.1 Cg_exo -44.84 172.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.737 1.625 . . . . 0.0 111.682 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 t -72.41 -30.02 64.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.282 -0.886 . . . . 0.0 110.593 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.89 -48.22 82.58 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.772 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 38.8 mp0 -67.08 -35.17 79.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.855 -1.153 . . . . 0.0 109.585 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -59.8 -49.94 75.77 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 110.526 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.8 -33.79 74.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.7 -1.25 . . . . 0.0 110.533 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.38 -35.69 79.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.905 -1.122 . . . . 0.0 109.647 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.46 -48.9 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.024 -1.047 . . . . 0.0 109.566 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.8 mp -60.05 -40.44 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.839 -1.163 . . . . 0.0 108.795 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.96 88.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.167 -0.958 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -63.35 -40.04 96.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.002 -1.061 . . . . 0.0 108.711 179.569 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.544 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.8 m . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.221 0.534 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -133.56 128.58 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.569 -0.707 . . . . 0.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 25.7 m95 -145.31 132.56 20.54 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 m -136.47 151.07 49.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.135 -0.978 . . . . 0.0 110.333 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 10.7 m -73.43 153.57 89.96 Favored Pre-proline 0 N--CA 1.491 1.585 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.13 -34.33 68.11 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.916 1.744 . . . . 0.0 112.238 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -59.97 -39.12 84.55 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.918 -1.114 . . . . 0.0 108.266 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -59.83 -39.44 85.1 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' ALA . 88.9 mt -67.3 -41.77 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 mmt -47.79 -27.43 2.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.678 -1.264 . . . . 0.0 109.814 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.62 -11.82 59.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.797 -1.19 . . . . 0.0 109.319 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -85.82 114.54 22.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.132 -0.98 . . . . 0.0 109.303 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 30.3 p-10 -60.33 -34.27 73.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.49 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -50.01 -26.98 9.34 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mtt -118.94 96.7 50.36 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.309 -1.112 . . . . 0.0 109.193 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -84.59 160.74 12.55 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.644 2.23 . . . . 0.0 113.236 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 159.02 22.63 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -70.84 -168.43 0.27 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.084 -1.245 . . . . 0.0 108.922 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -56.95 -45.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.175 -0.953 . . . . 0.0 109.34 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.88 88.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.024 -1.048 . . . . 0.0 110.288 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.98 93.06 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.5 -41.43 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.311 . . . . 0.0 107.887 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.536 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.5 m80 -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.698 . . . . 0.0 109.557 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -59.92 -50.08 75.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.207 -0.933 . . . . 0.0 109.754 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.645 HH22 HE22 ' A' ' 42' ' ' GLN . 45.3 ttt-85 -66.91 -46.38 75.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 109.422 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.11 71.04 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 111.507 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -64.76 -39.98 94.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.574 -1.329 . . . . 0.0 109.863 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.66 -41.25 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.094 -1.004 . . . . 0.0 109.084 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.645 HE22 HH22 ' A' ' 38' ' ' ARG . 96.0 mt-30 -82.61 157.78 23.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.53 57.17 4.72 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 17.7 m0 -63.67 140.58 58.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.073 -1.251 . . . . 0.0 108.891 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -75.6 123.77 26.08 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 mtpm? -127.98 159.54 34.67 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.582 0.706 . . . . 0.0 110.42 -178.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.31 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 18' ' ' SER . 3.3 tp10 -126.23 145.29 50.45 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.31 -0.869 . . . . 0.0 109.491 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.536 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.2 m-85 -117.38 141.04 48.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.533 -0.729 . . . . 0.0 109.116 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 35.5 p-10 -96.06 124.22 39.98 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 0.0 108.964 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.13 -16.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.096 -1.002 . . . . 0.0 110.964 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.15 -9.98 59.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 110.463 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.4 p -104.98 -11.97 16.4 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.64 146.85 77.39 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.906 -1.121 . . . . 0.0 108.887 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 155.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.029 1.819 . . . . 0.0 112.114 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 110.124 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.89 -47.58 84.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.823 -1.173 . . . . 0.0 109.622 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 92.0 mt-10 -66.32 -39.38 89.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.94 . . . . 0.0 109.083 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -59.03 -40.1 84.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.474 -0.766 . . . . 0.0 109.09 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -61.06 -39.93 91.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.328 -0.857 . . . . 0.0 109.68 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -63.71 -39.82 95.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.323 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.65 -43.85 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.044 -1.035 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.03 -39.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.933 -1.104 . . . . 0.0 109.168 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.8 86.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.37 -0.831 . . . . 0.0 109.382 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -66.17 -37.44 85.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.312 -0.867 . . . . 0.0 110.586 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.494 1.761 0 O-C-N 120.539 -1.35 . . . . 0.0 109.813 -179.414 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.544 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 9.9 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.212 0.53 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.5 mt -131.47 130.09 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 21.7 m95 -140.06 136.46 33.66 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 m -139.77 147.64 41.1 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.831 -1.168 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 168.42 23.61 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.183 -0.948 . . . . 0.0 110.274 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.23 -28.14 14.24 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.842 2.361 . . . . 0.0 113.51 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.96 -43.39 95.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.838 -1.164 . . . . 0.0 109.181 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.39 -41.41 76.49 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.002 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -69.8 -53.36 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.0 110.125 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.571 ' SD ' HG22 ' A' ' 32' ' ' VAL . 80.6 mtp -51.28 -24.46 4.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.892 -1.13 . . . . 0.0 109.916 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.29 -9.4 58.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.082 -1.011 . . . . 0.0 109.781 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.81 130.07 35.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.009 -1.057 . . . . 0.0 110.337 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.881 . . . . 0.0 108.905 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.37 -27.18 52.9 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.41 ' N ' ' SD ' ' A' ' 28' ' ' MET . 1.8 mpt? -127.88 79.58 73.46 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.239 -1.154 . . . . 0.0 109.5 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.44 175.41 5.43 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 123.255 2.637 . . . . 0.0 112.587 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.64 164.92 37.11 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.566 -1.814 . . . . 0.0 108.566 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.5 p -69.0 -172.74 0.42 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.735 -1.45 . . . . 0.0 109.54 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.571 HG22 ' SD ' ' A' ' 23' ' ' MET . 62.0 t -53.64 -50.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.033 -1.042 . . . . 0.0 109.959 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' TYR . . . -58.54 -40.09 82.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 109.346 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.47 -46.13 94.94 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.22 -48.99 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 1.2 t60 -65.68 -28.45 69.09 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.703 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ALA . 59.9 t80 -59.85 -51.24 70.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 110.545 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 14.4 ptm180 -67.28 -39.33 86.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.9 -1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -7.95 43.98 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 109.218 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -76.37 -44.44 36.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.154 -0.966 . . . . 0.0 108.869 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.42 -39.82 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -79.73 155.57 27.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.24 -0.912 . . . . 0.0 110.313 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.23 57.7 3.55 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -71.46 148.42 46.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -1.203 . . . . 0.0 109.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.9 m -79.5 128.1 32.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -130.87 154.56 47.95 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.418 0.628 . . . . 0.0 110.214 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' CB ' ' NH1' ' A' ' 47' ' ' ARG . 1.3 ptp180 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -138.15 156.71 47.48 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.765 -1.209 . . . . 0.0 110.771 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 8.9 m-85 -130.46 136.9 49.47 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 19.1 p-10 -87.47 117.48 26.29 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.649 -1.282 . . . . 0.0 110.871 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.99 -12.09 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.783 -1.198 . . . . 0.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 55.1 ttm -70.02 -17.54 63.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 109.659 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.6 p -102.01 -8.69 21.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.225 -0.922 . . . . 0.0 109.548 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.8 mtt -77.71 149.68 77.96 Favored Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.917 -1.114 . . . . 0.0 108.198 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.66 164.37 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.344 1.362 . . . . 0.0 111.036 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.7 m -59.85 -39.92 86.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.274 -0.891 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.74 -49.18 78.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.21 -0.932 . . . . 0.0 111.71 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 3.7 mp0 -65.44 -50.29 65.96 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.821 -1.174 . . . . 0.0 111.506 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -60.14 -40.12 88.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.618 -1.302 . . . . 0.0 110.925 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.27 -39.88 88.4 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.404 -1.435 . . . . 0.0 108.636 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -69.84 -39.77 76.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.59 -49.33 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.784 -1.197 . . . . 0.0 109.5 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.56 -40.13 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.039 -1.038 . . . . 0.0 108.691 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.09 87.8 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.109 -0.994 . . . . 0.0 110.095 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -62.29 -40.68 97.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 108.914 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.114 -0.992 . . . . 0.0 108.546 178.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.3 0.571 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.9 mt -120.55 133.22 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.688 -0.633 . . . . 0.0 109.641 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -139.73 132.43 28.97 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.4 m -130.04 141.12 50.77 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.994 -1.066 . . . . 0.0 110.885 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.06 163.78 65.94 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.21 -42.02 67.5 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.397 2.065 . . . . 0.0 112.366 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -60.04 -42.55 94.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.828 -1.17 . . . . 0.0 108.554 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.44 -40.65 97.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.71 -47.18 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.799 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.3 mmm -43.42 -30.03 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.062 -1.024 . . . . 0.0 111.292 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.13 -9.97 59.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.71 -1.244 . . . . 0.0 109.607 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.97 121.02 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.01 -39.37 85.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.73 -24.59 1.89 Allowed Glycine 0 N--CA 1.492 2.4 0 O-C-N 121.32 -0.862 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 mmt -119.82 87.38 37.82 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.196 -1.179 . . . . 0.0 109.522 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.48 153.39 20.73 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.854 1.702 . . . . 0.0 111.931 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 162.86 15.12 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 p -74.36 -168.31 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.999 -1.295 . . . . 0.0 109.582 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.26 -50.31 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.439 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.42 87.41 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.271 -0.893 . . . . 0.0 109.055 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.76 -40.35 88.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 43.3 m80 -64.29 -40.02 95.1 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.397 -0.814 . . . . 0.0 108.826 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -60.11 -50.07 75.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 0.0 110.422 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -65.7 -51.82 56.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.881 -1.137 . . . . 0.0 109.875 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 -7.54 11.85 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.131 -0.98 . . . . 0.0 110.81 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.13 -40.33 94.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.699 -1.25 . . . . 0.0 109.761 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.8 -39.86 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.104 -0.998 . . . . 0.0 109.455 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.509 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 79.8 mt-30 -77.05 158.98 30.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.408 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.29 53.44 1.82 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.509 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 37.6 m0 -65.02 141.03 58.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -1.216 . . . . 0.0 109.551 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 45' ' ' THR . 9.6 t -75.35 131.1 40.02 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -126.57 147.89 49.82 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.766 -0.584 . . . . 0.0 110.016 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 109.001 179.094 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.33 158.13 44.58 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.352 -0.842 . . . . 0.0 110.293 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.559 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 22.6 m-85 -126.21 139.92 52.96 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.8 125.74 32.84 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.689 -1.257 . . . . 0.0 110.069 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.2 t -65.66 -30.12 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.275 -0.891 . . . . 0.0 110.696 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.3 mmm -70.33 -4.91 24.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.92 . . . . 0.0 110.58 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -101.87 -13.1 17.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.227 -0.92 . . . . 0.0 109.2 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 42.9 mtt -76.76 140.88 67.88 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 110.076 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -42.62 160.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.623 1.548 . . . . 0.0 111.461 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.9 m -60.65 -39.95 90.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 110.776 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -53.45 -51.26 63.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.843 -1.16 . . . . 0.0 110.149 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.16 -29.9 68.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.825 -1.172 . . . . 0.0 109.585 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.75 -50.0 75.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.68 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -31.58 72.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 109.467 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.56 -38.63 91.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.45 -45.48 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.313 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mm -61.21 -43.16 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.279 -0.888 . . . . 0.0 108.872 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.369 -0.832 . . . . 0.0 110.431 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.18 -40.99 91.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.025 . . . . 0.0 109.543 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.766 . . . . 0.0 109.907 -179.603 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.421 0.629 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -132.11 134.92 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -139.67 140.52 36.91 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.99 144.86 50.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.351 -0.843 . . . . 0.0 110.734 -179.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -72.95 155.11 90.75 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.9 -23.18 33.2 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.999 1.799 . . . . 0.0 111.978 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.92 -49.67 76.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.101 -0.999 . . . . 0.0 108.817 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.91 -42.71 94.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.26 -53.05 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.312 -0.868 . . . . 0.0 110.411 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.408 ' O ' ' SD ' ' A' ' 23' ' ' MET . 11.4 tmm? -52.31 -25.11 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.881 -1.137 . . . . 0.0 109.812 -179.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.76 -9.49 59.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.064 -1.022 . . . . 0.0 108.739 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.65 133.79 35.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.832 . . . . 0.0 109.302 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.01 -40.06 87.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.149 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.34 28.61 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -124.23 80.74 58.65 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.885 . . . . 0.0 108.706 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -86.52 167.43 8.82 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 123.013 2.476 . . . . 0.0 112.675 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.88 168.27 27.28 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.271 -2.332 . . . . 0.0 107.271 -179.036 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 -168.79 0.12 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.808 -1.407 . . . . 0.0 108.923 -179.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.74 -47.92 87.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.528 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.76 83.4 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.668 -1.27 . . . . 0.0 108.951 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.16 -39.26 49.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.03 -43.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -1.218 . . . . 0.0 108.106 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.564 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.1 m80 -60.02 -36.75 77.91 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -58.99 -45.24 91.1 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.193 -0.942 . . . . 0.0 109.134 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -63.63 -43.32 97.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.965 -1.085 . . . . 0.0 108.091 179.155 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.8 0.85 6.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.731 . . . . 0.0 110.946 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 5.0 m120 -72.89 -44.34 61.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.587 -1.321 . . . . 0.0 109.059 179.026 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.04 -47.53 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 109.204 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -80.19 155.23 27.5 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.51 70.13 0.21 Allowed Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -67.88 152.95 44.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.255 -1.144 . . . . 0.0 108.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 45' ' ' THR . 9.0 t -77.07 127.47 32.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.118 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -125.71 151.87 46.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.784 -0.573 . . . . 0.0 109.624 -178.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.265 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 50.1 mp0 -130.04 157.72 41.6 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.34 -0.85 . . . . 0.0 110.55 -178.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.0 m-85 -129.31 136.1 49.61 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -86.11 125.11 33.23 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.734 -1.229 . . . . 0.0 109.142 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' SER . 12.1 p -62.39 -30.98 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.071 -1.018 . . . . 0.0 110.776 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mmt -72.03 18.49 0.08 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.045 -1.035 . . . . 0.0 110.277 -179.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 62' ' ' VAL . 67.6 m -113.96 -31.59 6.34 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.434 -0.791 . . . . 0.0 111.195 -179.117 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -81.18 153.44 71.86 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 120.696 -1.253 . . . . 0.0 109.726 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 65' ' ' MET . 80.0 Cg_exo -41.88 171.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 0.0 111.972 178.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -67.89 -25.35 65.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.983 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 110.532 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.9 mp0 -64.02 -38.6 91.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 110.209 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -59.98 -44.59 94.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.933 -1.104 . . . . 0.0 109.875 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.23 -47.03 87.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.52 -39.45 77.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 110.063 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.47 -47.46 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.984 -1.072 . . . . 0.0 109.29 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.11 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.089 -1.007 . . . . 0.0 108.506 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.34 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.209 -0.932 . . . . 0.0 108.653 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.28 -42.36 99.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.443 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.4 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.5 mt -126.65 129.97 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 47' ' ' ARG . 51.3 m95 -141.42 131.33 24.45 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.2 m -139.13 152.94 47.86 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.128 -0.982 . . . . 0.0 110.594 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -72.86 153.62 91.13 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.73 -26.98 84.05 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.064 1.843 . . . . 0.0 111.9 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -60.0 -44.52 94.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.118 -0.988 . . . . 0.0 108.399 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.81 -40.47 96.71 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.352 -0.842 . . . . 0.0 108.908 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.7 mt -69.66 -43.93 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.504 ' O ' ' SD ' ' A' ' 23' ' ' MET . 13.5 tmm? -52.15 -22.29 4.11 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.323 -0.86 . . . . 0.0 109.493 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 76' ' ' HIS . . . -79.24 -5.41 54.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.17 -0.956 . . . . 0.0 109.355 179.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 128.79 34.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.879 . . . . 0.0 109.773 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -60.1 -39.88 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 108.829 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.12 -16.31 18.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.543 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 6.1 mtt -128.42 79.39 74.22 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.402 -1.058 . . . . 0.0 108.893 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.27 167.55 21.32 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.793 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.87 163.74 22.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 -179.044 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 p -69.78 -167.98 0.17 Allowed 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.715 -1.462 . . . . 0.0 108.503 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -57.06 -49.96 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.543 0 C-N-CA 118.873 -1.131 . . . . 0.0 108.536 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.63 86.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.132 -0.98 . . . . 0.0 109.474 179.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.48 -40.25 31.07 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.37 -40.55 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.301 . . . . 0.0 108.764 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CD2' ' HH ' ' A' ' 60' ' ' TYR . 30.6 m80 -61.79 -28.85 69.75 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.372 -0.83 . . . . 0.0 109.226 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.87 -40.09 96.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.155 -0.966 . . . . 0.0 108.531 178.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.85 0.82 3.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.647 -0.658 . . . . 0.0 109.678 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -73.19 -53.33 11.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 109.08 178.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.03 -42.02 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -83.15 149.81 26.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.329 -0.857 . . . . 0.0 109.845 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.5 70.47 0.23 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.632 ' CZ3' ' SD ' ' A' ' 65' ' ' MET . 24.5 m0 -66.95 165.58 15.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -1.14 . . . . 0.0 108.961 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.1 m -74.27 130.05 38.97 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -132.32 150.02 52.24 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.341 -0.849 . . . . 0.0 110.746 -177.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 16' ' ' TRP . 33.7 ptt180 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.95 155.0 47.53 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.293 -0.879 . . . . 0.0 110.632 -179.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' HH ' ' CD2' ' A' ' 36' ' ' HIS . 87.3 m-85 -126.9 136.74 52.72 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.27 115.96 26.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.974 -1.079 . . . . 0.0 109.705 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 t -65.86 -21.24 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.135 -0.978 . . . . 0.0 109.418 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.3 tpp -71.67 -5.1 31.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.485 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.5 t -105.95 -18.73 13.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.632 ' SD ' ' CZ3' ' A' ' 44' ' ' TRP . 42.3 mtm -79.78 148.71 69.49 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.926 -1.109 . . . . 0.0 110.025 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.82 163.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.836 1.691 . . . . 0.0 111.6 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -62.42 -39.87 94.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.955 . . . . 0.0 110.334 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.3 -50.65 69.02 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.132 -0.98 . . . . 0.0 110.537 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -65.47 -39.2 91.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.027 -1.046 . . . . 0.0 109.829 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.59 -44.68 93.29 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.999 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.168 -0.957 . . . . 0.0 110.442 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -68.94 -39.95 79.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.69 -44.86 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.968 -1.083 . . . . 0.0 108.839 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.96 -40.1 82.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.7 -38.83 70.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.903 -1.123 . . . . 0.0 108.941 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.464 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 11.8 t60 -64.79 -34.99 79.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.0 109.032 179.575 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.111 -0.993 . . . . 0.0 109.085 179.804 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.6 mt -130.5 129.98 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.499 -0.751 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ2' ' NH2' ' A' ' 47' ' ' ARG . 65.8 m95 -140.24 135.5 32.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -133.14 143.82 49.51 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.162 -0.961 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.92 161.19 78.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.6 -32.83 91.53 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.402 2.068 . . . . 0.0 111.961 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.97 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.57 -49.43 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.529 -0.732 . . . . 0.0 110.329 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 56.1 mtm -52.19 -22.74 4.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.608 -1.307 . . . . 0.0 110.353 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.97 -10.0 59.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.698 -1.251 . . . . 0.0 109.091 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.18 35.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.2 -0.937 . . . . 0.0 109.245 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.7 p-10 -62.05 -24.86 67.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.38 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -66.69 -30.63 76.61 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.0 mpt? -120.74 79.02 30.9 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.434 -1.039 . . . . 0.0 109.259 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -83.05 168.89 13.33 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.767 2.311 . . . . 0.0 112.52 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 167.58 35.11 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -71.31 -171.72 0.64 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.067 -1.255 . . . . 0.0 109.446 -179.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' N ' ' SD ' ' A' ' 23' ' ' MET . 49.0 t -57.52 -45.35 86.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.86 90.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.78 -1.2 . . . . 0.0 110.018 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.2 97.79 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.66 -40.04 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -1.044 . . . . 0.0 108.192 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 25.1 m80 -69.58 -28.46 65.99 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -59.97 -51.21 70.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.986 . . . . 0.0 110.727 -178.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 15.0 ptm180 -70.63 -41.48 72.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.607 -1.308 . . . . 0.0 109.681 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.93 -2.9 19.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.018 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -74.6 -43.02 57.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 0.0 109.204 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.9 -44.97 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.545 -0.722 . . . . 0.0 109.788 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.81 HE21 ' HE1' ' A' ' 44' ' ' TRP . 27.0 mt-30 -80.02 158.29 26.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.94 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.84 68.42 1.75 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.81 ' HE1' HE21 ' A' ' 42' ' ' GLN . 13.5 m0 -62.01 147.97 45.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.406 -1.055 . . . . 0.0 110.267 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -75.74 123.71 26.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.583 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HZ2' ' HE2' ' A' ' 60' ' ' TYR . 21.6 mtpp -134.89 151.24 50.71 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.4 -0.813 . . . . 0.0 111.196 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 ptp180 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.006 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.499 2.007 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.35 160.0 38.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.538 -0.726 . . . . 0.0 110.086 -179.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 36' ' ' HIS . 52.5 m-85 -123.48 148.63 46.04 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.31 116.5 28.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.068 -1.02 . . . . 0.0 108.97 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.85 -34.07 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.926 . . . . 0.0 110.534 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.0 mtp -68.53 -6.45 25.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.052 -1.03 . . . . 0.0 109.193 -178.515 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.7 p -102.63 -12.42 17.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 54.0 mtt -77.47 142.72 67.29 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -44.98 157.96 0.19 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.731 1.621 . . . . 0.0 112.067 179.062 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.0 m -60.02 -39.89 87.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.137 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 39.8 tttm -53.4 -49.56 67.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.582 -179.115 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.23 -38.68 88.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.985 -1.072 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -58.45 -39.27 79.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 109.659 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.97 -46.08 90.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.981 . . . . 0.0 109.505 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 68' ' ' LYS . 1.9 mp0 -68.36 -39.99 81.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.898 . . . . 0.0 110.513 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.76 -50.92 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.847 -1.158 . . . . 0.0 110.018 -179.095 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.97 -40.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.196 -0.94 . . . . 0.0 109.596 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.97 -39.37 71.69 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -66.71 -37.7 85.23 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.495 1.825 0 O-C-N 121.075 -1.015 . . . . 0.0 109.569 179.805 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.5 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.2 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.2 mt -134.39 131.88 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.397 -0.814 . . . . 0.0 109.608 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.5 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.9 m95 -145.43 130.03 17.98 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.9 m -128.03 139.93 52.26 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.276 -0.89 . . . . 0.0 110.493 -178.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 175.84 3.68 Favored Pre-proline 0 N--CA 1.492 1.666 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.28 -32.13 42.43 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 121.918 1.745 . . . . 0.0 112.483 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.07 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.951 -1.093 . . . . 0.0 109.348 -179.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.44 -44.89 95.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.174 -0.953 . . . . 0.0 108.738 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -70.02 -51.29 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.58 -0.7 . . . . 0.0 109.648 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 31' ' ' SER . 33.6 mmm -42.92 -30.78 0.43 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 111.621 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.25 -6.98 58.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.799 -1.188 . . . . 0.0 109.636 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 127.27 32.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.089 -1.007 . . . . 0.0 109.945 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -39.34 85.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.359 -0.838 . . . . 0.0 109.483 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.553 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.36 -16.96 16.89 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.498 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -130.02 79.87 72.18 Favored Pre-proline 0 N--CA 1.502 2.128 0 O-C-N 121.084 -1.245 . . . . 0.0 109.126 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.6 164.99 14.16 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.938 2.425 . . . . 0.0 112.693 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.6 166.91 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' SD ' ' A' ' 23' ' ' MET . 24.7 p -71.83 -167.6 0.3 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.001 -1.294 . . . . 0.0 109.328 -179.456 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.81 -48.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.105 -0.997 . . . . 0.0 108.534 -179.338 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.119 -0.988 . . . . 0.0 109.749 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.26 -39.99 93.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.298 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.63 -41.41 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.247 -1.149 . . . . 0.0 108.418 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 36.9 m80 -61.54 -38.22 86.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.645 -0.659 . . . . 0.0 109.834 179.674 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.023 -1.048 . . . . 0.0 109.837 -178.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 63.7 ttt180 -63.2 -49.44 74.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.937 -1.102 . . . . 0.0 109.745 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.97 3.83 3.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.266 -0.897 . . . . 0.0 110.685 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.38 -40.96 73.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.885 -1.134 . . . . 0.0 108.789 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.19 -46.27 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.529 -0.732 . . . . 0.0 109.601 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -74.04 143.14 45.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.672 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.19 55.55 4.76 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -62.36 145.14 54.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 0.0 109.4 179.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.2 m -72.7 129.99 39.5 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -127.48 139.61 52.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.585 -0.697 . . . . 0.0 109.206 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 47' ' ' ARG . 1.6 ptm180 . . . . . 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 108.87 179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.499 1.978 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -129.28 154.73 46.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.793 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.6 m-85 -122.37 136.43 54.9 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 12.2 p-10 -84.92 117.3 23.84 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.782 -1.199 . . . . 0.0 109.167 179.319 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 t -67.45 -19.88 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.087 -1.008 . . . . 0.0 111.279 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.9 mtp -72.73 3.85 4.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.762 -1.211 . . . . 0.0 110.885 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.0 p -108.1 -18.2 13.84 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.12 -0.987 . . . . 0.0 110.821 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.9 ptp -82.29 149.96 63.04 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.68 -1.263 . . . . 0.0 109.616 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -169.86 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.942 1.762 . . . . 0.0 111.967 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 68' ' ' LYS . 9.5 t -74.04 -38.36 64.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.25 -0.906 . . . . 0.0 112.741 -177.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 67' ' ' THR . 62.5 mttp -55.04 -52.46 63.1 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.401 -1.437 . . . . 0.0 111.035 -177.404 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 45.8 mp0 -66.58 -37.24 84.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.891 -1.13 . . . . 0.0 110.094 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.72 -41.51 91.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.948 -1.095 . . . . 0.0 109.716 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.057 -1.027 . . . . 0.0 109.739 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -64.65 -40.03 94.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 0.0 109.544 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.46 -51.37 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.971 -1.08 . . . . 0.0 109.491 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.53 -41.82 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.88 -1.137 . . . . 0.0 109.737 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.93 70.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 110.024 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -64.25 -43.88 93.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.084 -1.01 . . . . 0.0 110.255 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.492 1.637 0 O-C-N 120.901 -1.124 . . . . 0.0 109.454 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.447 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.2 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.4 mt -130.94 130.13 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CH2' ' CZ ' ' A' ' 47' ' ' ARG . 41.7 m95 -140.77 133.16 28.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.189 -0.945 . . . . 0.0 108.645 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.9 m -130.01 140.0 50.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.357 -0.84 . . . . 0.0 109.917 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -74.99 165.52 53.26 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.75 -29.21 79.7 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 121.853 1.702 . . . . 0.0 112.727 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -58.87 -44.97 91.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.94 -1.1 . . . . 0.0 108.279 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 39.7 mp0 -65.23 -40.64 94.32 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.914 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.403 HG23 ' SD ' ' A' ' 28' ' ' MET . 86.1 mt -70.47 -53.16 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 110.234 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 61.2 mtm -51.77 -21.6 2.93 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.376 -1.453 . . . . 0.0 109.715 -179.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -9.95 59.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.968 -1.083 . . . . 0.0 109.328 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.14 124.93 31.67 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.135 -0.978 . . . . 0.0 109.045 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 61.2 t0 -60.17 -40.07 88.66 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.364 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.96 -22.68 35.76 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.403 ' SD ' HG23 ' A' ' 22' ' ' ILE . 13.7 mtt -120.04 78.97 25.32 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.314 -1.109 . . . . 0.0 109.292 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.22 161.47 23.11 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.753 2.302 . . . . 0.0 112.611 -178.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.7 161.23 22.1 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.454 ' C ' ' SD ' ' A' ' 23' ' ' MET . 77.9 p -72.75 -165.31 0.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.171 -1.194 . . . . 0.0 109.367 -179.598 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' SD ' ' A' ' 23' ' ' MET . 41.9 t -56.71 -48.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.468 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.05 88.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.068 -1.02 . . . . 0.0 109.961 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.17 -45.73 94.88 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.09 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.243 . . . . 0.0 108.528 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 20.2 m80 -68.2 -33.72 74.94 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.04 -51.76 68.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.344 -0.847 . . . . 0.0 110.748 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.97 -37.92 79.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.822 -1.174 . . . . 0.0 109.691 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.12 -10.7 60.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.795 -178.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.38 -39.82 77.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.65 -43.6 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -80.34 159.53 25.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.4 -0.813 . . . . 0.0 109.689 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.73 60.02 4.25 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -69.7 144.83 52.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.183 -1.186 . . . . 0.0 109.705 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 m -78.51 121.5 24.67 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -131.97 144.3 50.72 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.573 ' CZ ' ' CH2' ' A' ' 16' ' ' TRP . 4.2 ptp180 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.05 -1.031 . . . . 0.0 109.588 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -132.33 153.92 50.24 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 53.1 m-85 -123.71 132.49 53.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -93.86 109.23 20.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.877 -1.14 . . . . 0.0 108.843 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -66.21 -11.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.153 -0.967 . . . . 0.0 110.123 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 45.9 ttm -71.56 -9.77 58.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.083 -1.011 . . . . 0.0 108.442 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -103.47 -10.8 18.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 0.0 109.518 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -77.43 154.3 81.71 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.037 -1.039 . . . . 0.0 109.104 179.506 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.52 166.32 24.28 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.76 1.64 . . . . 0.0 110.431 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.7 p -60.18 -39.58 86.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.872 -1.143 . . . . 0.0 110.427 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -55.21 -58.54 7.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.939 -1.1 . . . . 0.0 110.303 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.23 -40.06 82.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.049 -1.032 . . . . 0.0 110.327 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.84 -46.57 88.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.852 -1.155 . . . . 0.0 108.983 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -61.78 -39.9 93.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.552 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.94 -39.84 91.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 109.639 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.65 -49.52 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.98 -1.075 . . . . 0.0 108.793 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.11 -39.39 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.816 -1.177 . . . . 0.0 108.656 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.59 -34.17 57.44 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -61.89 -40.12 94.31 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.793 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.573 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 4.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 107.84 -1.171 . . . . 0.97 107.84 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -110.02 129.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 108.644 -0.873 . . . . 1.39 108.644 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.573 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 80.1 m95 -139.07 129.19 25.26 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.482 -0.933 . . . . 0.77 108.482 -179.196 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.8 m -131.56 141.38 49.68 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.449 -0.782 . . . . 0.69 109.931 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.26 160.37 82.77 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 1.55 108.85 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.38 -26.32 52.58 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.539 2.159 . . . . 0.69 111.037 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.03 -52.71 64.21 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.869 -0.789 . . . . 2.69 108.869 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.468 -0.77 . . . . 2.14 108.973 -179.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.417 HG23 ' SD ' ' A' ' 28' ' ' MET . 96.6 mt -67.05 -49.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 C-N-CA 119.592 -0.843 . . . . 0.59 108.785 179.176 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -44.83 -29.68 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.099 -1.0 . . . . 1.87 110.337 179.817 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -8.24 57.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.958 -1.089 . . . . 0.74 109.731 -178.415 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.1 127.57 33.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.133 -0.979 . . . . 0.53 109.493 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.03 -44.07 94.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -0.914 . . . . 2.29 109.944 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -52.08 -16.18 2.96 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.57 -1.012 . . . . 0.66 110.57 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.417 ' SD ' HG23 ' A' ' 22' ' ' ILE . 9.3 mtt -130.03 79.98 71.94 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.289 -1.124 . . . . 1.05 109.865 -179.275 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.15 170.13 12.36 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.96 2.44 . . . . 0.71 112.727 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.74 27.79 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.547 -1.821 . . . . 0.68 108.547 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' SD ' ' A' ' 23' ' ' MET . 70.7 p -71.8 -169.04 0.41 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.015 -1.285 . . . . 0.88 108.885 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.6 -48.72 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.01 -1.056 . . . . 0.9 108.872 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.99 87.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.188 -0.945 . . . . 0.84 109.577 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.37 -41.53 71.99 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.04 -1.624 . . . . 0.7 109.04 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.84 -43.37 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.6 108.155 178.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.544 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 34.5 m80 -60.06 -39.78 87.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.552 -0.717 . . . . 1.02 109.497 179.632 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -55.14 -45.29 75.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.202 -0.936 . . . . 1.43 108.621 -179.613 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 52.7 ttt180 -67.15 -48.76 67.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.495 -0.753 . . . . 2.72 110.052 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.22 3.57 3.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 0.79 109.637 -179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -76.68 -46.24 26.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.371 -0.831 . . . . 2.51 109.405 179.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.0 -40.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.407 -0.808 . . . . 1.33 109.247 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -84.23 150.22 25.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.332 -0.855 . . . . 2.34 109.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.04 61.49 2.61 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.035 -1.626 . . . . 0.77 109.035 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.596 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 31.3 m0 -59.32 150.8 25.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -1.133 . . . . 0.7 109.284 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -75.58 122.58 24.12 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 106.868 -1.53 . . . . 0.99 106.868 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -130.05 155.64 45.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.39 -0.819 . . . . 2.17 110.295 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.668 -0.864 . . . . 2.5 108.668 179.017 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 102.933 -2.988 . . . . 1.72 102.933 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.66 151.2 33.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.184 -0.948 . . . . 2.18 110.076 -176.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 64.6 m-85 -116.78 138.43 51.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.814 -0.81 . . . . 0.71 108.814 -179.064 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.1 115.66 23.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.133 -0.979 . . . . 1.98 108.775 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.81 -20.6 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 1.32 109.693 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.08 -2.78 29.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 1.7 110.654 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.3 p -106.78 -15.8 14.64 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.092 -1.005 . . . . 1.39 110.047 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 8.7 mtt -79.98 147.89 66.89 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.838 -1.164 . . . . 1.5 109.622 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.6 Cg_exo -44.03 170.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.632 1.555 . . . . 0.79 111.345 178.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.81 86.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 1.55 109.343 179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -55.16 -55.3 32.7 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.892 . . . . 2.97 111.546 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.703 -1.248 . . . . 2.62 109.131 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.97 -44.48 94.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.022 -1.049 . . . . 3.08 109.757 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -60.09 -39.87 87.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.559 -1.338 . . . . 2.32 108.914 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -60.92 -40.14 92.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.38 -0.825 . . . . 2.26 108.813 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.52 -47.18 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.66 109.795 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.01 -42.78 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.023 -1.048 . . . . 1.38 108.544 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.495 -0.753 . . . . 0.69 110.503 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -60.18 -40.42 89.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.103 . . . . 1.06 109.109 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 107.963 -1.125 . . . . 1.55 107.963 178.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.456 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m -79.6 159.77 26.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.179 -0.95 . . . . 0.0 108.969 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -132.62 129.99 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 109.066 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CE3' ' OD1' ' A' ' 61' ' ' ASP . 29.0 m95 -139.95 130.85 26.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.6 m -130.04 141.63 50.71 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.362 -0.836 . . . . 0.0 110.035 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.01 158.02 86.28 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.266 -0.897 . . . . 0.0 109.463 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HB2' HG13 ' A' ' 32' ' ' VAL . 18.7 Cg_endo -57.51 -26.89 74.0 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.813 2.342 . . . . 0.0 112.655 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -59.95 -44.43 94.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.987 -1.07 . . . . 0.0 108.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 40.0 mp0 -68.33 -40.1 81.73 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.255 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 82.9 mt -68.9 -54.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.337 -0.852 . . . . 0.0 110.546 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -14.29 46.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.752 -1.218 . . . . 0.0 110.33 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.42 -6.24 57.76 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.15 131.19 35.68 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.166 -0.959 . . . . 0.0 108.577 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.2 -24.16 50.23 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.505 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 8.1 mtt -121.8 80.13 40.77 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.539 -0.977 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.85 168.85 17.12 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.814 2.343 . . . . 0.0 112.564 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.24 165.47 28.74 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 107.96 -2.056 . . . . 0.0 107.96 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -70.03 -168.31 0.2 Allowed 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.985 -1.303 . . . . 0.0 108.955 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 19' ' ' PRO . 54.4 t -58.26 -46.59 88.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.187 -0.945 . . . . 0.0 109.294 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.665 -1.272 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.99 -40.2 50.26 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.0 t -63.33 -40.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.209 -1.171 . . . . 0.0 108.162 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 61.7 m80 -59.97 -33.93 72.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.397 -0.814 . . . . 0.0 109.092 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.472 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 66.9 t80 -59.54 -47.45 85.47 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 109.227 -179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' A' ' 38' ' ' ARG . 53.8 mtt-85 -65.02 -40.4 94.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.752 -1.218 . . . . 0.0 108.884 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.75 1.57 8.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.601 -0.687 . . . . 0.0 110.444 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.522 ' C ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -74.89 -37.69 62.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.946 -1.097 . . . . 0.0 109.176 179.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 74.8 t -69.9 -58.09 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.661 -0.65 . . . . 0.0 111.065 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.05 159.73 26.07 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.183 . . . . 0.0 110.607 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.55 69.4 2.51 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.482 ' CD2' ' SD ' ' A' ' 65' ' ' MET . 14.5 m0 -59.69 146.77 40.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.641 -0.917 . . . . 0.0 110.025 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 ' OD2' ' A' ' 61' ' ' ASP . 30.4 m -76.93 121.21 23.13 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -128.47 150.29 50.21 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.756 -0.59 . . . . 0.0 109.543 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -141.87 131.64 24.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.475 -0.766 . . . . 0.0 109.016 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' NZ ' ' NZ ' ' A' ' 56' ' ' LYS . 23.8 mtpp -91.09 98.77 11.96 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 51' ' ' GLY . 60.6 tttm -81.22 154.46 26.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.011 -1.055 . . . . 0.0 108.963 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -68.25 26.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.391 -0.818 . . . . 0.0 111.12 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 49' ' ' LYS . . . 78.72 130.17 0.62 Allowed Glycine 0 N--CA 1.495 2.616 0 C-N-CA 119.464 -1.35 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.701 ' O ' HG13 ' A' ' 52' ' ' VAL . 14.2 p -97.07 100.22 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.225 -1.162 . . . . 0.0 107.953 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 50.87 32.23 7.03 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.052 -1.03 . . . . 0.0 108.96 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.71 -115.09 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.77 130.16 2.02 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.603 -1.284 . . . . 0.0 110.081 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' NZ ' ' NZ ' ' A' ' 48' ' ' LYS . 5.8 mmtt 59.83 80.94 0.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.29 -1.124 . . . . 0.0 110.288 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . . . -102.58 132.48 48.64 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.057 -1.027 . . . . 0.0 108.334 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.67 138.71 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.349 -0.844 . . . . 0.0 110.118 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -133.03 158.23 43.25 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.448 -0.783 . . . . 0.0 110.169 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.9 m-85 -129.41 149.71 51.08 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' CE3' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -95.03 112.04 23.79 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.019 -1.051 . . . . 0.0 109.153 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.7 t -68.45 -24.46 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 110.464 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.8 tpp -70.34 -15.53 62.88 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.198 -0.939 . . . . 0.0 110.258 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.5 p -99.67 -8.53 24.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.881 -1.137 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.482 ' SD ' ' CD2' ' A' ' 44' ' ' TRP . 15.6 mmt -78.58 146.57 69.78 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.083 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -41.55 155.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.677 1.585 . . . . 0.0 111.714 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.0 m -59.98 -39.92 87.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.999 -1.063 . . . . 0.0 109.192 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.34 -42.78 78.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 108.771 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -64.24 -38.67 91.89 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -58.84 -39.29 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.619 -0.675 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.956 -1.09 . . . . 0.0 109.002 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -62.11 -40.01 94.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.372 -0.83 . . . . 0.0 110.471 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.68 -49.86 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.713 -1.242 . . . . 0.0 109.022 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.9 mm -60.65 -40.03 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.35 -0.844 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.23 88.79 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.389 -0.819 . . . . 0.0 109.422 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 108.849 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.04 -31.43 69.06 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.94 -14.74 53.92 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.9 mt -83.1 -2.17 54.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.205 -1.173 . . . . 0.0 109.223 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -150.51 -34.74 0.16 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.944 -1.098 . . . . 0.0 110.131 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.199 -0.938 . . . . 0.0 109.686 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -80.11 160.41 25.75 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.194 -0.941 . . . . 0.0 109.455 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.88 133.46 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -143.14 136.6 28.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.131 -0.98 . . . . 0.0 109.587 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -130.87 137.71 49.48 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.262 -0.899 . . . . 0.0 110.637 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 159.87 81.33 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.451 -0.781 . . . . 0.0 109.12 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -54.2 -35.16 81.89 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.189 1.926 . . . . 0.0 111.843 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 12.4 pt20 -60.09 -43.71 95.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.191 -0.943 . . . . 0.0 108.672 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 95.7 mt-10 -62.35 -41.12 98.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.279 -0.888 . . . . 0.0 108.687 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -69.7 -44.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 31' ' ' SER . 38.7 mmm -48.17 -25.4 1.47 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.326 -0.859 . . . . 0.0 110.147 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 -10.14 59.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.917 -1.115 . . . . 0.0 109.718 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 117.08 24.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.108 -0.995 . . . . 0.0 109.807 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 34.4 p-10 -61.62 -33.13 73.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -54.95 -29.91 52.5 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -119.4 84.29 28.57 Favored Pre-proline 0 N--CA 1.499 2.02 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -82.62 172.39 11.32 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.815 2.343 . . . . 0.0 112.886 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.61 160.79 24.96 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.413 -1.875 . . . . 0.0 108.413 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' ' SD ' ' A' ' 23' ' ' MET . 55.7 p -71.69 -165.86 0.18 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.029 -1.277 . . . . 0.0 108.968 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.57 -50.14 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.905 -1.122 . . . . 0.0 109.004 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.76 88.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.747 -1.221 . . . . 0.0 108.593 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.17 -41.95 71.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.47 -42.62 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.195 -1.179 . . . . 0.0 107.964 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.578 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 67.0 m80 -60.05 -38.28 82.3 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.654 -0.654 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -57.21 -49.29 76.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.16 -0.963 . . . . 0.0 108.966 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 38' ' ' ARG . 38.9 ttm-85 -61.79 -41.63 97.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.939 -1.1 . . . . 0.0 108.77 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.57 9.58 4.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 110.384 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -76.19 -51.73 11.52 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.877 -1.139 . . . . 0.0 109.211 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.4 -40.11 77.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.656 -0.653 . . . . 0.0 109.889 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.36 153.89 31.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.725 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.93 63.96 1.47 Allowed Glycine 0 N--CA 1.498 2.777 0 N-CA-C 110.194 -1.162 . . . . 0.0 110.194 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -62.19 148.55 44.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -1.143 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -78.75 130.49 35.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 46' ' ' LYS . 9.0 mtpm? -133.06 150.24 52.12 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.4 -0.812 . . . . 0.0 110.448 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -143.78 143.8 31.52 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -83.51 146.16 28.52 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 79.0 tttt -150.1 112.87 4.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.96 -1.087 . . . . 0.0 110.651 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -80.06 151.41 29.92 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.86 -65.2 0.19 Allowed Glycine 0 N--CA 1.491 2.348 0 C-N-CA 119.421 -1.371 . . . . 0.0 109.711 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.19 133.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -1.113 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 54' ' ' GLY . 58.6 tttm -65.87 128.49 36.24 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.352 -0.843 . . . . 0.0 109.733 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 53' ' ' LYS . . . 60.54 143.47 0.01 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 87.6 -23.48 12.77 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' GLY . 68.2 mttm 53.93 164.7 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -1.057 . . . . 0.0 109.823 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -120.03 135.54 54.89 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.321 -0.862 . . . . 0.0 110.427 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.23 145.12 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.9 mp0 -135.19 159.23 42.19 Favored 'General case' 0 N--CA 1.507 2.381 0 O-C-N 120.827 -1.171 . . . . 0.0 111.964 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.578 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 86.0 m-85 -129.43 144.6 51.31 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' SD ' ' A' ' 65' ' ' MET . 54.7 t0 -94.99 117.02 29.44 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.841 -1.162 . . . . 0.0 109.23 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.27 -21.96 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.162 -0.961 . . . . 0.0 109.976 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.6 mmt -75.06 1.95 11.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.343 -0.848 . . . . 0.0 111.07 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.4 p -107.03 -27.62 10.52 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.987 -1.07 . . . . 0.0 110.456 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -82.36 155.15 69.32 Favored Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 120.68 -1.262 . . . . 0.0 108.543 178.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 65' ' ' MET . 87.6 Cg_exo -40.88 164.75 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.942 1.761 . . . . 0.0 111.952 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.9 p -70.23 -26.46 63.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.159 -0.963 . . . . 0.0 110.799 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.93 -42.92 95.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.944 -1.098 . . . . 0.0 110.255 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -66.4 -38.91 88.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.805 -1.184 . . . . 0.0 109.941 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -59.44 -42.99 93.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.123 -0.985 . . . . 0.0 110.585 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -60.14 -40.01 88.33 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.929 -1.107 . . . . 0.0 108.836 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -66.87 -39.98 87.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.4 t -69.71 -44.62 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.197 -0.94 . . . . 0.0 109.494 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.56 -43.22 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.167 -0.958 . . . . 0.0 109.794 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.65 95.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.709 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -62.31 -42.1 99.08 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.205 -0.934 . . . . 0.0 108.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.0 -31.49 69.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 109.799 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.91 92.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.8 -7.61 55.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.995 -1.297 . . . . 0.0 109.52 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' THR . 4.9 t -102.38 2.83 37.21 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.541 -0.725 . . . . 0.0 109.476 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' SER . 8.5 p . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.679 -0.638 . . . . 0.0 110.104 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.4 pttt . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.23 0.538 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.428 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.9 m -79.99 165.38 22.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.448 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.4 mt -130.16 131.41 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.428 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 57.8 m95 -140.55 130.89 25.15 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -135.16 150.07 50.09 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.163 -0.961 . . . . 0.0 110.89 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 162.67 72.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.314 -0.866 . . . . 0.0 109.17 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.66 -27.86 76.38 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.013 1.809 . . . . 0.0 111.716 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.81 -41.98 92.44 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.848 -1.158 . . . . 0.0 108.088 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.46 -40.41 91.09 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.48 -46.32 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.166 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.574 ' SD ' HG22 ' A' ' 32' ' ' VAL . 89.5 mtp -47.33 -25.59 1.04 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.892 -1.13 . . . . 0.0 110.188 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.87 -8.17 59.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.975 -1.078 . . . . 0.0 109.305 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.3 118.72 24.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.101 -1.0 . . . . 0.0 109.906 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.03 -39.93 91.68 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.545 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -54.05 -16.54 6.3 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 mtt -130.07 79.09 73.62 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.465 -1.021 . . . . 0.0 108.557 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -79.71 170.57 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.74 2.294 . . . . 0.0 112.866 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.37 158.31 25.98 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 p -70.86 -166.24 0.14 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.027 -1.278 . . . . 0.0 108.711 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.574 HG22 ' SD ' ' A' ' 23' ' ' MET . 49.0 t -55.63 -48.42 77.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 120.82 -1.175 . . . . 0.0 108.927 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.13 84.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.074 -1.017 . . . . 0.0 109.553 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.89 -41.08 94.01 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.784 -1.326 . . . . 0.0 109.784 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.09 -42.25 95.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.865 -1.373 . . . . 0.0 107.872 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.555 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 29.8 m80 -60.65 -31.04 70.27 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.656 -0.652 . . . . 0.0 109.811 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -59.71 -49.64 76.96 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.027 -1.045 . . . . 0.0 108.997 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.545 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 51.5 mtp180 -62.64 -40.84 98.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.91 -1.119 . . . . 0.0 109.574 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.74 1.14 40.21 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.376 -0.828 . . . . 0.0 109.956 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.69 -48.02 42.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 0.0 108.36 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.97 -44.13 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -80.65 157.55 25.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 0.0 110.41 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.11 70.08 0.24 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -65.17 157.17 29.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -1.052 . . . . 0.0 109.633 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 m -79.56 118.99 21.92 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -129.06 159.9 34.47 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.934 0.873 . . . . 0.0 111.136 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -138.91 115.13 10.33 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -82.3 159.48 23.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.133 -0.979 . . . . 0.0 111.785 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -154.94 133.81 12.19 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 51' ' ' GLY . 45.4 mt-10 64.6 37.23 7.94 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 50' ' ' GLU . . . 45.08 99.95 0.01 OUTLIER Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 52' ' ' VAL . 2.0 m -106.34 121.69 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.355 -1.085 . . . . 0.0 110.222 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -114.01 -4.76 13.17 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.85 -0.71 0.03 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.11 -119.5 0.48 Allowed Glycine 0 N--CA 1.496 2.692 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt 52.01 -141.47 0.82 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.285 -1.126 . . . . 0.0 109.935 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.44 110.53 20.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.054 -1.029 . . . . 0.0 110.99 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.79 145.18 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -127.6 145.0 51.02 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.195 -0.941 . . . . 0.0 110.592 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.555 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.1 m-85 -119.46 140.9 49.7 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.825 -0.547 . . . . 0.0 109.612 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 18.4 p-10 -99.25 125.31 44.84 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.227 -0.92 . . . . 0.0 109.57 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.78 -18.63 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -75.72 8.39 3.03 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.649 -1.282 . . . . 0.0 111.07 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.8 p -107.02 -24.04 12.12 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 121.005 -1.059 . . . . 0.0 111.285 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -78.24 159.49 75.19 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 120.462 -1.399 . . . . 0.0 109.232 179.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.92 171.11 11.62 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.39 2.06 . . . . 0.0 111.534 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.2 p -60.76 -39.95 90.67 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.935 -1.103 . . . . 0.0 111.702 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -49.92 73.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 0.0 110.012 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 4.6 mp0 -67.74 -37.56 82.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.024 -1.047 . . . . 0.0 110.153 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -59.41 -39.79 84.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.572 -1.33 . . . . 0.0 109.426 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.26 -40.08 89.09 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.057 -1.027 . . . . 0.0 108.881 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -65.16 -39.59 93.15 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.214 -0.929 . . . . 0.0 108.618 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -70.21 -50.12 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -0.875 . . . . 0.0 109.52 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.25 -39.94 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.71 77.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.416 -0.803 . . . . 0.0 109.75 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -63.15 -41.92 99.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.83 -1.169 . . . . 0.0 108.917 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.5 -39.2 88.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 108.71 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.04 95.94 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -87.77 -0.67 57.24 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.542 -1.563 . . . . 0.0 109.388 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.1 m -89.25 2.11 54.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.358 -0.839 . . . . 0.0 108.864 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.961 . . . . 0.0 109.295 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.478 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.6 m -80.2 165.32 22.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.096 -1.003 . . . . 0.0 109.452 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 97.8 mt -132.47 130.55 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 44.9 m95 -141.1 140.1 34.1 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.322 -0.861 . . . . 0.0 108.837 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.7 m -130.06 139.05 51.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.296 -0.878 . . . . 0.0 110.312 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -73.04 153.25 90.82 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.476 -0.765 . . . . 0.0 108.997 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' MET . 7.1 Cg_endo -49.21 -34.98 32.69 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.957 1.771 . . . . 0.0 111.571 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.89 -47.29 86.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.095 -1.003 . . . . 0.0 109.166 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.03 -43.17 83.48 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.265 -0.897 . . . . 0.0 108.939 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.515 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 85.9 mt -71.38 -53.36 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.423 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' PRO . 12.7 tmm? -51.29 -20.96 1.87 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.922 -1.111 . . . . 0.0 110.224 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -5.8 51.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.719 -1.238 . . . . 0.0 108.784 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.45 127.95 33.35 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -60.09 -40.01 88.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.266 -0.896 . . . . 0.0 109.754 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.94 -10.23 3.43 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.515 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 5.8 mtt -130.32 81.37 68.45 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.452 -1.028 . . . . 0.0 108.699 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 60.5 Cg_endo -82.37 161.15 17.38 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 123.108 2.539 . . . . 0.0 113.484 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.62 23.49 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 108.242 -1.943 . . . . 0.0 108.242 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -70.42 -170.06 0.36 Allowed 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.802 -1.411 . . . . 0.0 108.643 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.79 -43.32 87.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.219 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.66 83.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.834 -1.166 . . . . 0.0 109.2 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.42 88.22 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.94 -42.34 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.244 -1.15 . . . . 0.0 108.176 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.2 m80 -60.71 -34.31 74.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.616 -0.678 . . . . 0.0 109.629 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -59.25 -52.6 64.99 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.157 -0.965 . . . . 0.0 110.045 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.539 ' NH2' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -70.19 -39.78 75.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.606 -1.309 . . . . 0.0 109.403 178.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 111.223 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.72 -39.95 94.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.546 -1.346 . . . . 0.0 109.23 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.25 -40.06 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 95.8 mt-30 -80.05 152.52 29.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 109.333 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.91 58.31 5.04 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 16.1 m0 -73.2 143.3 47.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -1.159 . . . . 0.0 109.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -78.28 128.99 34.51 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -129.11 154.48 46.66 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.475 -0.766 . . . . 0.0 109.919 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -143.97 145.55 32.32 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -92.57 111.53 23.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.166 -0.959 . . . . 0.0 110.207 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 25.4 ttpp -89.0 113.54 24.64 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.2 -0.937 . . . . 0.0 109.486 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -80.67 9.98 5.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.246 -0.909 . . . . 0.0 109.864 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' H ' ' HG2' ' A' ' 49' ' ' LYS . . . -59.03 -34.42 79.0 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 54' ' ' GLY . 60.0 t -62.72 134.41 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.968 -1.313 . . . . 0.0 109.475 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.359 -0.838 . . . . 0.0 109.301 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' H ' HG12 ' A' ' 52' ' ' VAL . . . -164.25 87.52 0.1 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 176.81 -15.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 55' ' ' GLY . 24.2 ttpp 57.08 113.4 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.595 -0.944 . . . . 0.0 110.16 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -95.96 156.9 16.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.367 -0.833 . . . . 0.0 109.559 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.92 135.78 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -129.21 155.65 45.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.299 -0.876 . . . . 0.0 110.326 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.463 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.1 m-85 -128.73 150.03 50.45 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -93.97 120.76 34.67 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.007 -1.058 . . . . 0.0 109.29 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.23 -33.89 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.935 . . . . 0.0 109.996 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 99.7 mtp -71.68 3.12 4.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.437 -0.789 . . . . 0.0 111.063 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 t -106.95 -26.37 11.22 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.111 -0.993 . . . . 0.0 110.434 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 66' ' ' PRO . 5.6 ptp -81.94 151.75 67.69 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.998 -1.064 . . . . 0.0 109.843 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 62.3 Cg_exo -36.28 160.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.567 2.178 . . . . 0.0 112.486 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.6 m -69.36 -31.73 70.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.471 -0.768 . . . . 0.0 110.208 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.538 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 98.2 mttt -59.84 -42.99 94.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.32 -35.58 81.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.712 -1.243 . . . . 0.0 108.711 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -59.43 -40.02 85.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 0.0 108.958 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.74 -40.68 93.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.036 -1.04 . . . . 0.0 108.383 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.09 -39.92 90.39 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.5 t -68.37 -45.46 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 108.496 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mm -60.0 -46.94 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 121.681 0.753 . . . . 0.0 109.119 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.44 74.92 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 109.52 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -60.08 -40.71 90.49 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.205 -0.935 . . . . 0.0 110.232 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 77' ' ' LEU . 8.4 mp -60.08 -38.11 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.917 -1.114 . . . . 0.0 108.989 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.19 -50.37 68.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -93.96 -169.15 2.02 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.112 -1.228 . . . . 0.0 109.401 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m 56.8 -5.26 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.772 -0.58 . . . . 0.0 110.972 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 79' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.015 -1.053 . . . . 0.0 109.619 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 pttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.0 m -80.01 163.94 23.83 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.223 -0.923 . . . . 0.0 110.235 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -120.2 130.75 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.506 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 75.2 m95 -143.59 131.34 21.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.109 -0.994 . . . . 0.0 109.002 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.4 m -132.1 143.9 50.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.509 -0.745 . . . . 0.0 110.17 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 162.25 75.16 Favored Pre-proline 0 N--CA 1.491 1.588 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.19 -31.63 93.88 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.559 2.173 . . . . 0.0 112.243 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -59.81 -43.22 94.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 109.321 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 31.3 mp0 -62.35 -40.27 95.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.102 -0.998 . . . . 0.0 108.407 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.444 HG23 ' SD ' ' A' ' 28' ' ' MET . 95.8 mt -67.3 -47.75 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.663 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 44.7 mtm -53.07 -21.33 4.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.656 -1.277 . . . . 0.0 110.09 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.52 -10.01 59.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.872 -1.143 . . . . 0.0 109.536 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.93 124.82 32.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.13 -0.981 . . . . 0.0 109.469 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 25.0 p-10 -60.01 -39.5 86.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.346 -0.846 . . . . 0.0 109.596 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.29 -24.21 44.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 22' ' ' ILE . 3.2 mtt -122.72 79.82 48.57 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 121.454 -1.027 . . . . 0.0 108.881 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -84.67 173.44 8.38 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 123.006 2.471 . . . . 0.0 112.892 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 161.96 34.56 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.6 p -71.07 -167.42 0.21 Allowed 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.04 -1.271 . . . . 0.0 108.648 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' N ' ' SD ' ' A' ' 23' ' ' MET . 55.5 t -56.41 -45.65 81.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 110.274 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.526 -1.359 . . . . 0.0 109.741 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.24 -40.65 92.09 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.28 -43.84 98.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.172 -1.193 . . . . 0.0 107.991 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 24.9 m80 -62.16 -28.49 69.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.655 -0.653 . . . . 0.0 109.616 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.9 -41.89 92.63 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 60.4 mtp180 -64.4 -43.07 95.56 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.311 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.84 7.74 8.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.422 -0.799 . . . . 0.0 110.225 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -74.68 -51.55 14.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.108 -0.995 . . . . 0.0 109.309 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.98 -41.19 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.602 -0.686 . . . . 0.0 109.739 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.604 HE21 ' HE1' ' A' ' 44' ' ' TRP . 27.1 mt-30 -94.8 151.52 19.18 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.243 -0.911 . . . . 0.0 110.063 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.02 65.47 1.95 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.604 ' HE1' HE21 ' A' ' 42' ' ' GLN . 13.5 m0 -47.21 156.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.387 -1.066 . . . . 0.0 109.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -76.31 129.12 36.16 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -138.16 159.58 41.67 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.324 -0.86 . . . . 0.0 110.56 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -145.66 142.24 28.86 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.13 103.95 16.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.452 -0.78 . . . . 0.0 109.982 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' GLU . 18.1 tptm -87.38 117.28 26.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.94 -1.1 . . . . 0.0 108.853 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' LYS . 51.9 mm-40 36.45 -144.24 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.377 0.608 . . . . 0.0 110.582 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.57 67.02 0.31 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 57' ' ' ALA . 11.2 m -91.23 157.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.285 -1.126 . . . . 0.0 110.423 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' A' ' 55' ' ' GLY . 60.7 tttm 55.84 162.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.593 -0.692 . . . . 0.0 109.646 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.52 22.17 0.86 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 53' ' ' LYS . . . -137.17 6.64 3.69 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 55' ' ' GLY . 96.7 mttt 54.4 167.7 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.612 -0.934 . . . . 0.0 109.39 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -102.36 121.46 42.34 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 108.328 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.49 144.1 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.465 -0.772 . . . . 0.0 109.027 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.8 mp0 -128.67 158.2 39.21 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 121.639 0.733 . . . . 0.0 110.037 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 95.0 m-85 -120.51 143.7 48.42 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -92.32 110.93 22.34 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.033 -1.042 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.87 -30.04 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.112 -0.992 . . . . 0.0 109.535 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.6 ttm -69.65 -7.78 41.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.286 -0.884 . . . . 0.0 108.85 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 t -102.8 -14.31 16.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.479 -0.763 . . . . 0.0 108.949 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.7 mtt -81.08 152.06 70.84 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.398 -0.814 . . . . 0.0 109.832 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.9 168.46 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 121.637 1.558 . . . . 0.0 111.103 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.6 p -74.04 -31.76 63.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 0.0 111.466 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -57.61 -49.19 77.23 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.986 -1.071 . . . . 0.0 110.159 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 27.5 mp0 -67.42 -36.61 81.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.141 -0.975 . . . . 0.0 109.333 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.44 -46.56 88.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.319 -0.863 . . . . 0.0 109.276 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.16 -40.11 92.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.988 . . . . 0.0 109.616 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -63.83 -39.82 95.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 0.0 110.616 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.98 -49.19 70.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.81 -1.181 . . . . 0.0 109.17 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.41 -38.39 77.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.159 -0.963 . . . . 0.0 109.438 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.41 69.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 108.519 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -59.9 -39.84 86.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.59 -13.8 52.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.34 81.44 7.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.954 -1.321 . . . . 0.0 109.577 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m 53.94 25.55 5.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.646 -0.658 . . . . 0.0 110.719 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.267 -0.896 . . . . 0.0 109.388 179.603 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.655 0.741 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.436 ' HB2' ' HE1' ' A' ' 16' ' ' TRP . 5.6 m -159.39 169.35 24.15 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -125.24 129.63 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.247 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CD2' ' OD1' ' A' ' 61' ' ' ASP . 61.0 m95 -140.38 123.99 17.12 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -132.31 145.83 51.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.271 -0.893 . . . . 0.0 110.176 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 160.0 83.92 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.02 -28.6 34.99 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.499 2.133 . . . . 0.0 111.906 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 19.8 pt20 -60.88 -42.0 97.09 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 78.1 mm-40 -63.66 -42.56 98.06 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.5 mt -70.07 -40.15 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.804 . . . . 0.0 108.849 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 23' ' ' MET . 13.8 tmm? -50.34 -25.41 3.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.297 -0.877 . . . . 0.0 110.24 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.5 -4.72 47.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.948 -1.095 . . . . 0.0 109.561 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.07 129.65 35.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.131 -0.981 . . . . 0.0 109.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.74 -39.99 93.51 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.213 -0.929 . . . . 0.0 110.23 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.32 -15.23 22.62 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.504 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 26.2 mtt -129.87 78.85 74.35 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.589 -0.948 . . . . 0.0 108.614 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -82.74 170.32 12.81 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 123.181 2.588 . . . . 0.0 113.213 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.83 166.23 23.33 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 107.6 -2.2 . . . . 0.0 107.6 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 p -69.99 -167.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.724 -1.456 . . . . 0.0 108.593 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.9 t -57.41 -50.02 78.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.089 -1.045 . . . . 0.0 108.922 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.65 77.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.913 -1.117 . . . . 0.0 108.964 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.92 45.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.79 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.903 -1.351 . . . . 0.0 108.564 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' CD2' ' HH ' ' A' ' 60' ' ' TYR . 32.9 m80 -59.97 -33.38 71.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -59.64 -48.71 80.61 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -60.06 -46.68 88.76 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 42' ' ' GLN . . . -76.57 1.71 16.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.579 -0.701 . . . . 0.0 109.964 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -75.13 -40.0 60.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.101 -0.999 . . . . 0.0 108.853 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.73 -45.5 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 39' ' ' ALA . 94.7 mm-40 -94.28 159.6 15.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.459 -0.776 . . . . 0.0 109.43 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.67 61.87 0.37 Allowed Glycine 0 N--CA 1.501 3.033 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 19.6 m0 -51.8 172.57 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.999 -1.294 . . . . 0.0 108.891 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 120.94 22.07 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -129.02 154.87 46.22 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -144.1 130.94 20.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.345 -0.847 . . . . 0.0 110.047 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -89.44 145.77 25.09 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -152.51 152.93 32.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.06 -1.025 . . . . 0.0 108.695 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' VAL . 52.9 mt-10 -68.07 140.09 56.25 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.159 -0.963 . . . . 0.0 108.458 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.43 97.29 0.01 OUTLIER Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.459 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 53.4 t -60.25 -41.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.313 -1.11 . . . . 0.0 108.011 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.01 -8.76 59.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.67 44.38 2.7 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 108.975 -1.65 . . . . 0.0 108.975 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -175.08 61.16 0.11 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 55' ' ' GLY . 62.0 tttp 57.64 126.17 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.674 -0.898 . . . . 0.0 110.77 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB2' ' H ' ' A' ' 52' ' ' VAL . . . -125.23 118.0 25.08 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.489 -0.757 . . . . 0.0 109.595 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.75 143.08 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -131.34 153.11 49.95 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.182 -0.949 . . . . 0.0 111.521 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HH ' ' CD2' ' A' ' 36' ' ' HIS . 52.0 m-85 -129.78 146.48 51.53 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' OD1' ' CD2' ' A' ' 16' ' ' TRP . 95.4 m-20 -100.25 120.63 40.2 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 120.84 -1.162 . . . . 0.0 111.006 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.09 -28.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.252 -0.905 . . . . 0.0 109.661 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.9 tpp -71.35 -1.7 13.83 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 109.837 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.3 m -101.86 -22.58 14.32 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.901 -1.124 . . . . 0.0 110.211 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.452 ' SD ' ' O ' ' A' ' 61' ' ' ASP . 3.0 mpp? -79.93 149.82 70.99 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 120.855 -1.153 . . . . 0.0 108.99 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 65' ' ' MET . 71.2 Cg_exo -43.1 169.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 121.691 1.594 . . . . 0.0 111.472 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 p -69.94 -31.57 69.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.097 -1.002 . . . . 0.0 110.791 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -58.96 -48.28 82.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.826 -1.171 . . . . 0.0 110.273 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 39.5 mp0 -67.38 -32.27 73.07 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.772 -1.205 . . . . 0.0 109.084 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -59.87 -43.71 94.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.885 . . . . 0.0 109.207 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -40.01 87.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.77 -35.36 77.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 110.471 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.43 -50.0 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.815 -1.178 . . . . 0.0 110.3 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.7 mp -61.77 -39.01 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.913 -1.117 . . . . 0.0 109.778 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.96 93.88 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.886 -1.134 . . . . 0.0 109.784 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -60.04 -40.27 88.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.853 -1.154 . . . . 0.0 108.665 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.41 -30.76 71.6 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.82 -27.94 37.8 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 2.5 mm? -85.71 -75.65 0.36 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.302 -1.117 . . . . 0.0 109.291 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.6 p -110.93 125.42 53.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.617 -0.677 . . . . 0.0 109.416 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.299 0.571 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.5 m -80.04 160.54 25.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.282 -0.887 . . . . 0.0 109.45 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.61 131.57 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.417 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 50.6 m95 -139.98 129.91 24.78 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.7 m -131.31 141.77 50.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.425 -0.797 . . . . 0.0 109.837 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.3 157.47 89.17 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 108.688 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.23 -30.84 53.06 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.23 1.954 . . . . 0.0 112.177 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -59.83 -44.74 93.89 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.61 -40.98 93.86 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.18 -48.28 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.425 -0.797 . . . . 0.0 109.364 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.541 ' SD ' HG22 ' A' ' 32' ' ' VAL . 81.3 mtp -43.71 -31.19 0.74 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 110.843 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.48 -10.19 59.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.848 -1.157 . . . . 0.0 110.868 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.87 126.31 32.32 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.676 -1.265 . . . . 0.0 109.461 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.04 -40.01 87.94 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 109.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -53.71 -30.07 42.61 Favored Glycine 0 N--CA 1.494 2.531 0 C-N-CA 120.307 -0.949 . . . . 0.0 110.733 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mmt -119.74 79.11 23.06 Favored Pre-proline 0 N--CA 1.503 2.196 0 O-C-N 121.28 -1.129 . . . . 0.0 109.202 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.97 163.52 20.41 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.679 2.253 . . . . 0.0 112.82 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.54 160.07 17.22 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -71.87 -163.72 0.11 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.905 -1.35 . . . . 0.0 108.995 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG22 ' SD ' ' A' ' 23' ' ' MET . 61.6 t -57.7 -53.58 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.041 -1.037 . . . . 0.0 109.329 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.69 94.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.902 -1.124 . . . . 0.0 109.666 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.23 -43.81 57.2 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.52 -42.49 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.143 -1.21 . . . . 0.0 108.351 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 54.7 m80 -60.12 -38.39 82.91 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' O ' ' OD1' ' A' ' 40' ' ' ASN . 61.9 t80 -59.87 -43.91 94.47 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.559 -0.713 . . . . 0.0 109.653 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 70.4 ttt180 -66.22 -41.34 90.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.687 -1.258 . . . . 0.0 109.491 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.51 3.53 31.89 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.269 -0.894 . . . . 0.0 111.713 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.61 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 48.4 p30 -73.05 -39.83 65.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.428 -1.42 . . . . 0.0 108.524 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.61 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 51.8 t -69.97 -39.97 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 108.97 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.24 148.36 25.16 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.221 -0.924 . . . . 0.0 109.267 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 63.11 4.01 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.18 153.11 15.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.365 -1.079 . . . . 0.0 109.444 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 m -78.09 122.11 25.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.14 148.8 52.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.701 -0.625 . . . . 0.0 109.915 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -140.32 131.54 26.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -89.88 111.11 22.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.144 -0.972 . . . . 0.0 109.234 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 50' ' ' GLU . 18.3 mtpp -90.29 123.49 34.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.073 -1.017 . . . . 0.0 109.774 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 49' ' ' LYS . 98.7 mt-10 36.37 -156.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 121.084 0.468 . . . . 0.0 110.526 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.93 60.91 0.64 Allowed Glycine 0 N--CA 1.496 2.639 0 N-CA-C 108.961 -1.656 . . . . 0.0 108.961 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -57.06 142.37 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.204 -1.174 . . . . 0.0 109.048 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.03 139.04 57.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.358 -0.839 . . . . 0.0 109.439 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.22 -55.55 0.75 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 172.84 40.3 0.04 OUTLIER Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' A' ' 55' ' ' GLY . 99.1 mttt 57.45 146.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.889 -0.771 . . . . 0.0 109.842 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.87 135.63 33.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.741 -1.224 . . . . 0.0 109.535 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 140.44 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.473 -0.767 . . . . 0.0 109.827 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 49.4 mp0 -130.6 151.45 51.05 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.472 -0.768 . . . . 0.0 109.754 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.0 m-85 -120.09 143.59 48.06 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 65' ' ' MET . 63.3 t0 -90.77 114.07 26.35 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.97 -1.081 . . . . 0.0 108.947 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.05 -31.6 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.038 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.1 mtp -72.32 3.86 4.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.943 . . . . 0.0 109.898 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 t -101.0 -20.31 15.45 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.167 -0.958 . . . . 0.0 109.252 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -80.48 149.99 69.49 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.138 -0.976 . . . . 0.0 109.568 179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -39.25 158.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.35 2.033 . . . . 0.0 112.455 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -60.66 -40.13 90.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.101 -0.999 . . . . 0.0 110.691 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -58.31 -50.08 74.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.975 -1.078 . . . . 0.0 109.603 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 12.6 mp0 -64.45 -36.85 85.52 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.919 -1.113 . . . . 0.0 108.751 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -58.97 -43.83 91.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.305 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.62 -39.99 95.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.906 . . . . 0.0 109.959 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.69 -39.98 94.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 110.358 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.9 t -68.62 -43.99 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.042 -1.036 . . . . 0.0 108.721 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.08 -40.04 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -0.866 . . . . 0.0 109.561 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.01 69.25 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.152 -0.968 . . . . 0.0 108.578 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -64.95 -39.78 94.02 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -0.908 . . . . 0.0 109.106 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.01 -40.14 88.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.098 -1.002 . . . . 0.0 110.007 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.02 -40.57 99.08 Favored Glycine 0 N--CA 1.494 2.511 0 O-C-N 121.219 -0.926 . . . . 0.0 111.287 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 79' ' ' LEU . 4.2 pp -87.86 -2.18 58.45 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.873 -1.369 . . . . 0.0 110.206 -178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.452 ' N ' HD12 ' A' ' 79' ' ' LEU . 45.3 m -84.57 -10.94 56.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.073 -1.017 . . . . 0.0 108.94 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.492 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.2 m -78.67 163.79 25.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.164 -0.96 . . . . 0.0 109.386 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.7 mm -117.5 126.62 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.402 -0.811 . . . . 0.0 109.322 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.492 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 77.4 m95 -144.58 130.18 19.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.087 -1.008 . . . . 0.0 108.287 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.0 m -126.86 132.25 51.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.376 -0.827 . . . . 0.0 109.833 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.7 m -75.63 151.34 84.85 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.229 -0.919 . . . . 0.0 110.097 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.04 -31.71 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.593 2.195 . . . . 0.0 113.28 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.94 -40.79 90.18 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.991 -1.068 . . . . 0.0 108.719 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -69.72 -43.01 73.23 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.516 -0.74 . . . . 0.0 109.261 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.97 -51.32 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.102 -0.999 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.556 ' SD ' HG22 ' A' ' 32' ' ' VAL . 85.8 mtp -46.58 -31.21 2.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 110.403 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -80.99 -7.38 59.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.932 -1.105 . . . . 0.0 109.662 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.5 128.14 34.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.027 -1.046 . . . . 0.0 109.85 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.98 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -0.797 . . . . 0.0 109.503 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.18 -31.38 59.11 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -122.08 79.5 42.95 Favored Pre-proline 0 N--CA 1.501 2.125 0 O-C-N 121.276 -1.132 . . . . 0.0 109.23 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -84.31 173.7 8.57 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 123.109 2.539 . . . . 0.0 112.568 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.08 166.65 32.88 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.9 p -70.08 -169.62 0.29 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.142 -1.211 . . . . 0.0 108.808 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.556 HG22 ' SD ' ' A' ' 23' ' ' MET . 63.7 t -54.61 -45.23 71.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.102 -0.999 . . . . 0.0 109.691 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.91 90.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.688 -1.257 . . . . 0.0 109.965 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.14 -40.92 84.89 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.5 t -63.83 -41.65 93.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.464 -1.021 . . . . 0.0 108.582 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 40' ' ' ASN . 32.3 m80 -62.66 -28.79 70.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.545 -0.722 . . . . 0.0 109.164 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -58.85 -49.99 75.68 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 38' ' ' ARG . 47.1 mtt-85 -62.79 -39.95 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.06 -1.056 . . . . 0.0 108.822 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -84.06 -2.55 56.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.429 -0.794 . . . . 0.0 110.498 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' HIS . 21.6 t-20 -76.58 -50.9 12.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.922 -1.111 . . . . 0.0 108.599 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.05 -46.82 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 121.319 0.58 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -79.85 148.42 31.35 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.793 . . . . 0.0 109.856 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.4 64.48 4.16 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.609 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 26.6 m0 -63.87 152.69 39.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.388 -1.066 . . . . 0.0 109.004 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.14 128.12 34.77 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -132.6 150.21 52.19 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.274 -0.891 . . . . 0.0 110.926 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -149.51 171.61 16.34 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 9.7 ptmm? -146.86 110.3 4.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.763 -1.21 . . . . 0.0 110.727 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.86 167.03 19.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' GLU . 48.1 mp0 -65.3 138.04 57.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.768 -1.207 . . . . 0.0 108.743 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -46.29 121.27 5.37 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.32 -90.98 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -1.117 . . . . 0.0 108.47 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -95.6 -25.08 16.3 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.978 -1.076 . . . . 0.0 108.111 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.34 175.94 24.04 Favored Glycine 0 N--CA 1.497 2.733 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -81.27 121.21 5.35 Favored Glycine 0 N--CA 1.494 2.505 0 O-C-N 121.217 -1.166 . . . . 0.0 110.358 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 55' ' ' GLY . 52.0 mtmt 54.97 118.69 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.721 -0.87 . . . . 0.0 110.873 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.24 136.62 39.86 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.342 -0.848 . . . . 0.0 108.793 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.4 p -131.21 139.94 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.372 -0.83 . . . . 0.0 109.539 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.427 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 55.4 mp0 -133.53 155.69 49.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.482 -0.761 . . . . 0.0 110.059 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.523 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.6 m-85 -119.95 139.91 51.73 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -87.72 110.39 20.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.822 -1.174 . . . . 0.0 108.873 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.16 -15.02 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.205 -0.935 . . . . 0.0 110.696 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 tpt -73.72 -9.25 58.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.307 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -109.23 -9.13 15.02 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.29 -0.881 . . . . 0.0 110.934 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.609 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.6 mtm -80.01 149.96 70.97 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 120.676 -1.265 . . . . 0.0 110.867 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.66 164.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.319 2.012 . . . . 0.0 111.892 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -72.61 -34.87 67.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 110.113 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -59.59 -46.11 89.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.855 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.7 -39.95 95.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.854 -1.154 . . . . 0.0 108.871 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -59.98 -40.21 88.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.15 -0.969 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.93 -40.08 87.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.617 -1.302 . . . . 0.0 109.189 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -67.0 -37.6 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.447 -0.783 . . . . 0.0 109.85 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.14 -46.41 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 109.915 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.97 -39.96 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.219 -0.926 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.47 -40.27 82.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.995 -1.065 . . . . 0.0 109.519 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 7.0 t60 -66.76 -40.14 88.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 109.598 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.41 -39.94 89.17 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.501 -1.375 . . . . 0.0 107.951 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.61 -31.63 45.16 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 107.768 -2.133 . . . . 0.0 107.768 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 80' ' ' SER . 63.1 tp -84.29 166.6 17.33 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.416 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 75.7 m -66.36 131.47 46.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.72 -1.238 . . . . 0.0 109.668 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.186 -0.946 . . . . 0.0 109.143 179.762 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.44 ' HB3' ' HE1' ' A' ' 16' ' ' TRP . 1.4 m -79.47 166.29 22.14 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.078 -1.014 . . . . 0.0 109.118 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.0 mp -133.87 125.51 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.355 -0.84 . . . . 0.0 110.219 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 42.4 m95 -147.49 129.85 15.73 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.2 m -134.91 148.19 50.01 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.18 -0.95 . . . . 0.0 110.477 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.04 164.04 64.05 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -62.65 -26.94 75.76 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.185 1.923 . . . . 0.0 111.434 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.03 -43.29 95.42 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -68.79 -40.01 79.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.283 -0.886 . . . . 0.0 108.759 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.84 -54.69 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.54 -0.725 . . . . 0.0 110.704 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -55.09 -19.94 8.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.683 -1.261 . . . . 0.0 109.712 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.91 -9.96 59.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.71 129.32 34.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.739 -0.601 . . . . 0.0 109.653 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 26.7 p-10 -60.76 -25.2 66.32 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.161 -0.962 . . . . 0.0 109.178 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.57 -32.09 72.57 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 mmt -119.38 93.31 47.05 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.604 -0.939 . . . . 0.0 109.23 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.86 156.21 23.8 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.958 1.772 . . . . 0.0 111.947 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.28 160.02 16.19 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -74.82 -158.67 0.08 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.926 -1.338 . . . . 0.0 109.889 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.56 -55.9 20.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.466 -0.771 . . . . 0.0 109.882 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.26 93.11 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.84 -1.162 . . . . 0.0 109.685 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -43.18 54.12 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.161 -1.575 . . . . 0.0 109.161 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.01 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -1.161 . . . . 0.0 108.61 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 54.0 m80 -61.8 -38.58 88.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -54.0 -57.77 9.79 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.306 -0.871 . . . . 0.0 109.763 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.49 -39.85 85.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.846 -1.159 . . . . 0.0 109.433 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.47 -40.03 35.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.328 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.67 -40.09 95.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.893 -1.129 . . . . 0.0 109.735 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.32 -39.97 87.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 0.0 108.997 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -84.36 152.79 23.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.312 -0.868 . . . . 0.0 109.337 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.79 55.33 2.27 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.599 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 41.6 m0 -72.08 149.96 44.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.111 -1.229 . . . . 0.0 109.284 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -76.99 130.68 37.81 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -134.43 157.42 46.5 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.339 -0.851 . . . . 0.0 110.976 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 32.1 ptt180 -143.92 121.43 11.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -83.9 131.11 34.89 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.118 -0.989 . . . . 0.0 111.345 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 50' ' ' GLU . 45.5 mtpt -88.28 94.83 9.96 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' LYS . 79.8 mm-40 54.73 168.04 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 139.79 41.47 Favored Glycine 0 N--CA 1.498 2.815 0 O-C-N 120.793 -1.192 . . . . 0.0 110.896 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 62.8 t -114.74 127.5 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.208 0 O-C-N 121.355 -1.086 . . . . 0.0 110.032 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -155.21 -48.75 0.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -28.99 0.73 Allowed Glycine 0 N--CA 1.498 2.792 0 N-CA-C 108.277 -1.929 . . . . 0.0 108.277 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -133.14 -156.71 8.18 Favored Glycine 0 N--CA 1.496 2.675 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 55' ' ' GLY . 59.6 mttm 52.1 -179.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.943 -1.328 . . . . 0.0 108.621 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.1 -169.94 0.92 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.372 -1.455 . . . . 0.0 112.569 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 59' ' ' GLU . 6.0 p -136.55 160.88 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 96.5 mt-10 -131.21 154.81 48.03 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.083 -1.011 . . . . 0.0 111.017 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 23.7 m-85 -124.72 140.02 53.32 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 30.2 p-10 -96.15 131.1 42.95 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.85 -1.156 . . . . 0.0 110.282 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 16.1 t -69.16 -20.01 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.425 -0.797 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.4 tpt -70.01 -9.91 56.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.507 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.406 ' OG ' ' OD1' ' A' ' 61' ' ' ASP . 91.5 p -107.45 -11.54 15.49 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.186 -0.946 . . . . 0.0 109.982 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.599 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 6.9 mtm -78.69 139.11 58.23 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.976 -1.078 . . . . 0.0 109.656 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.56 166.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.79 1.66 . . . . 0.0 112.116 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.7 p -64.93 -39.18 93.11 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.176 -0.952 . . . . 0.0 110.973 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.07 -48.54 75.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.811 -1.181 . . . . 0.0 109.606 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 1.3 mp0 -64.86 -38.61 91.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.974 -1.079 . . . . 0.0 108.822 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 62' ' ' VAL . 23.9 ttm-85 -59.33 -42.71 92.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.426 -0.796 . . . . 0.0 109.7 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.092 -1.005 . . . . 0.0 108.904 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.85 -32.98 74.8 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.557 -0.715 . . . . 0.0 110.689 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.96 -40.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.671 -1.268 . . . . 0.0 109.278 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.02 -39.74 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.33 88.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.522 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -60.76 -48.85 79.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -0.999 . . . . 0.0 109.533 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 77' ' ' LEU . 7.3 mp -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.063 -1.023 . . . . 0.0 109.064 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.67 -35.81 68.92 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 80' ' ' SER . 1.4 pp -80.71 168.97 18.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.899 -1.354 . . . . 0.0 109.271 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.564 ' O ' HD12 ' A' ' 79' ' ' LEU . 47.5 t -53.96 134.5 43.23 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.079 -1.013 . . . . 0.0 110.329 -178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.301 -1.533 0 O-C-N 121.43 -0.793 . . . . 0.0 109.492 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mptt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 m -79.88 166.85 21.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.93 . . . . 0.0 108.929 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.3 mt -129.94 130.04 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 109.274 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -140.04 135.39 32.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.7 m -129.97 137.63 50.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.289 -0.882 . . . . 0.0 110.106 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -72.36 154.46 91.89 Favored Pre-proline 0 C--N 1.304 -1.378 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.44 -34.1 60.0 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.932 1.755 . . . . 0.0 111.926 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.08 -44.99 94.38 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.042 -1.036 . . . . 0.0 108.345 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -60.06 -40.37 89.21 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.208 -0.932 . . . . 0.0 108.552 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.2 mt -67.12 -47.2 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.31 -0.869 . . . . 0.0 108.81 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 89.5 mtp -48.47 -20.33 0.41 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.023 -1.048 . . . . 0.0 109.773 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.77 -10.09 59.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 109.385 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.83 124.17 32.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.386 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 39.2 p-10 -61.01 -38.25 85.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.098 -1.001 . . . . 0.0 109.878 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -55.8 -21.3 29.22 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mtt -123.82 80.06 56.47 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.291 -1.123 . . . . 0.0 109.33 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.58 167.26 17.14 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.952 2.435 . . . . 0.0 113.134 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.09 27.76 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.9 p -71.14 -168.54 0.3 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.304 -1.115 . . . . 0.0 108.737 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.07 -46.79 84.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 109.894 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.7 87.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.842 -1.161 . . . . 0.0 109.678 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.68 90.07 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.63 -40.3 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.247 -1.149 . . . . 0.0 108.549 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.552 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 23.9 m80 -62.18 -39.23 91.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.54 -0.725 . . . . 0.0 109.849 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -57.78 -49.86 75.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.312 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 38' ' ' ARG . 32.2 ttt-85 -60.76 -49.85 75.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.07 -1.019 . . . . 0.0 109.362 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.97 11.04 2.9 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.387 -0.821 . . . . 0.0 110.291 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -73.24 -40.17 64.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.994 . . . . 0.0 109.445 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.34 -46.59 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.548 -0.72 . . . . 0.0 109.66 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -85.92 156.41 20.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -0.979 . . . . 0.0 110.431 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.92 68.77 0.72 Allowed Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 29.0 m0 -58.08 158.29 7.04 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.387 -1.067 . . . . 0.0 109.82 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.5 m -75.87 120.01 20.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -133.87 148.65 51.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.69 -0.631 . . . . 0.0 110.172 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.83 146.0 30.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.348 -0.845 . . . . 0.0 108.917 178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -87.72 115.75 25.38 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.389 -0.819 . . . . 0.0 110.196 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 51' ' ' GLY . 88.5 tttt -92.6 124.21 36.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.275 -0.891 . . . . 0.0 109.125 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.88 26.45 0.19 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.369 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 49' ' ' LYS . . . -58.94 -66.15 2.99 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.6 m -89.51 140.02 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -1.149 . . . . 0.0 109.845 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -83.49 129.56 34.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.222 -0.924 . . . . 0.0 109.19 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.95 -33.26 2.41 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.25 -30.81 56.46 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 57.89 76.09 0.35 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.379 -1.071 . . . . 0.0 109.022 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 49' ' ' LYS . . . -64.77 144.0 57.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.856 . . . . 0.0 109.498 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.59 154.6 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.763 . . . . 0.0 109.579 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -134.13 157.67 45.58 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.426 -0.796 . . . . 0.0 110.367 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.552 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 91.3 m-85 -127.29 144.51 51.03 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -90.72 117.1 29.09 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.905 -1.122 . . . . 0.0 108.758 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.18 -28.09 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.01 -1.056 . . . . 0.0 110.259 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.3 mmm -71.32 7.24 1.39 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.076 -1.015 . . . . 0.0 110.265 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.5 m -114.09 -16.66 12.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.373 -0.83 . . . . 0.0 109.912 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 38.8 mtm -80.0 146.05 62.63 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.075 -1.015 . . . . 0.0 110.504 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -42.29 161.57 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.18 1.92 . . . . 0.0 112.166 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.456 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 91.2 m -61.07 -39.95 91.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.137 -0.977 . . . . 0.0 110.356 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.86 -47.73 83.86 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.997 -1.065 . . . . 0.0 110.051 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.5 -41.04 89.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.373 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' A' ' 67' ' ' THR . 85.9 mtm180 -60.11 -40.11 88.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.209 -0.932 . . . . 0.0 109.834 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.93 -40.05 87.58 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.975 -1.078 . . . . 0.0 109.729 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -34.74 78.47 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.94 -49.98 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.99 -1.069 . . . . 0.0 109.815 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.3 mp -61.55 -42.22 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.909 -1.119 . . . . 0.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.874 . . . . 0.0 109.509 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.94 -48.66 80.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.102 -0.999 . . . . 0.0 108.562 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.26 -39.87 88.29 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.04 -14.73 6.0 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.37 -9.1 59.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.019 -1.283 . . . . 0.0 108.784 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -137.62 -24.6 1.04 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.399 -0.813 . . . . 0.0 109.35 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 109.395 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.44 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.1 m -80.39 164.98 22.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.12 -0.988 . . . . 0.0 109.478 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 89.5 mt -131.83 130.25 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.463 -0.773 . . . . 0.0 108.915 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 49.2 m95 -141.69 133.95 27.9 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.911 . . . . 0.0 108.942 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.7 m -134.66 148.03 50.27 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.31 -0.869 . . . . 0.0 110.493 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.84 170.01 18.36 Favored Pre-proline 0 N--CA 1.494 1.758 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.35 -29.7 16.55 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.903 1.735 . . . . 0.0 111.461 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.07 -46.6 89.02 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.68 -41.06 94.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.437 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 92.7 mt -69.77 -41.97 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.3 mmm -50.03 -20.38 0.94 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.144 -0.972 . . . . 0.0 109.598 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.05 -9.97 59.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.011 -1.056 . . . . 0.0 109.392 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.55 119.09 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.137 -0.977 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 28' ' ' MET . 48.1 t0 -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.145 -0.972 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.42 -12.88 0.64 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.437 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 3.7 mtt -130.01 82.38 66.48 Favored Pre-proline 0 N--CA 1.503 2.183 0 O-C-N 121.259 -1.142 . . . . 0.0 109.512 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.71 168.07 19.89 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 122.659 2.239 . . . . 0.0 113.098 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.01 159.42 24.44 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 p -70.96 -166.97 0.17 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.924 -1.339 . . . . 0.0 108.617 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -57.7 -49.23 81.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.922 -1.111 . . . . 0.0 108.458 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.85 85.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.952 -1.093 . . . . 0.0 109.391 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.73 -39.91 87.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.3 t -63.45 -41.49 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -1.169 . . . . 0.0 108.262 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 33.7 m80 -60.15 -36.84 78.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.54 -0.725 . . . . 0.0 109.631 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -57.73 -48.27 80.08 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.338 -0.851 . . . . 0.0 109.135 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -63.74 -45.48 89.69 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.905 -1.122 . . . . 0.0 108.57 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.65 0.42 12.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.386 -0.821 . . . . 0.0 109.59 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.11 -47.46 28.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.164 -0.96 . . . . 0.0 108.774 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.01 -41.28 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.666 -0.646 . . . . 0.0 109.71 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -79.99 159.37 26.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -0.94 . . . . 0.0 109.741 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -97.06 62.43 1.05 Allowed Glycine 0 N--CA 1.495 2.573 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CZ2' ' SD ' ' A' ' 65' ' ' MET . 14.3 m0 -67.65 147.61 52.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -1.119 . . . . 0.0 109.441 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.6 m -76.77 122.99 25.53 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -130.26 152.02 50.13 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.502 -0.749 . . . . 0.0 109.92 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.601 HH11 ' CB ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -147.09 133.11 19.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.336 -0.853 . . . . 0.0 109.35 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -94.62 142.01 27.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.599 -0.688 . . . . 0.0 110.832 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -146.59 152.41 38.89 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.287 -0.883 . . . . 0.0 110.27 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 60.03 39.98 19.23 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.879 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.19 73.38 0.26 Allowed Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 55' ' ' GLY . 3.7 p -75.06 118.27 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.357 -1.084 . . . . 0.0 111.132 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -97.94 -10.71 24.08 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 55' ' ' GLY . . . 170.91 -2.15 0.03 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -162.05 -114.47 0.33 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 50.16 -138.0 1.02 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.13 -1.217 . . . . 0.0 110.48 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.56 120.2 29.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.707 -1.246 . . . . 0.0 111.747 -177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.9 t -141.85 137.31 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -135.23 146.02 48.22 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 120.788 -1.195 . . . . 0.0 111.417 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 84.2 m-85 -127.7 139.34 52.76 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -92.49 109.89 21.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.529 -1.357 . . . . 0.0 108.912 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.489 HG23 ' CE ' ' A' ' 65' ' ' MET . 9.8 p -67.47 -23.89 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.231 -0.918 . . . . 0.0 110.516 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.1 tpp -70.92 -10.93 60.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 110.629 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.7 t -99.41 -12.85 19.88 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.743 -1.223 . . . . 0.0 109.383 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.539 ' SD ' ' CZ2' ' A' ' 44' ' ' TRP . 20.8 ttp -81.58 130.65 60.73 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 121.222 -0.923 . . . . 0.0 108.654 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 65' ' ' MET . 28.6 Cg_exo -35.95 157.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.12 1.88 . . . . 0.0 112.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.5 m -62.44 -39.99 95.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 111.912 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -51.19 -59.59 4.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.683 -1.26 . . . . 0.0 110.884 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.3 mp0 -62.92 -37.65 87.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.645 -1.284 . . . . 0.0 110.154 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -59.2 -40.62 86.31 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.043 -1.036 . . . . 0.0 109.689 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -60.02 -40.79 90.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -64.35 -39.4 93.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.976 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.03 -42.76 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.973 -1.08 . . . . 0.0 109.137 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.19 -39.9 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.09 -1.006 . . . . 0.0 109.099 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.0 65.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.038 -1.039 . . . . 0.0 108.819 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -64.27 -36.37 83.88 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.343 -0.848 . . . . 0.0 108.847 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.53 -35.18 61.12 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.6 mt -84.94 170.01 13.48 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.441 -1.035 . . . . 0.0 108.768 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.2 m -59.05 131.7 51.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.068 -1.02 . . . . 0.0 108.706 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.101 -1.0 . . . . 0.0 109.475 -179.624 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 tttm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.422 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.0 m -159.85 164.54 33.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.131 -0.981 . . . . 0.0 109.128 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.457 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 84.1 mt -133.5 134.09 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 15' ' ' ILE . 60.7 m95 -146.11 131.65 18.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.216 -0.927 . . . . 0.0 108.845 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -132.73 148.39 52.33 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.406 -0.809 . . . . 0.0 110.329 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.48 167.45 32.78 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.09 -24.46 32.7 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.836 1.69 . . . . 0.0 111.411 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -60.0 -40.24 88.51 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.0 -41.7 77.46 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -70.07 -48.86 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.375 -0.828 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -51.59 -27.5 11.3 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.169 -0.957 . . . . 0.0 110.651 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.3 -7.03 58.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.685 -1.259 . . . . 0.0 109.234 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.9 124.77 30.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.008 -1.058 . . . . 0.0 109.587 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -62.78 -26.63 68.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.86 . . . . 0.0 109.446 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.64 52.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mmt -131.54 80.02 67.87 Favored Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.561 -0.964 . . . . 0.0 108.623 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.28 156.1 37.3 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.098 1.866 . . . . 0.0 112.532 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.79 159.18 11.23 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 107.677 -2.169 . . . . 0.0 107.677 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.7 p -70.9 -164.13 0.09 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.906 -1.349 . . . . 0.0 109.148 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.85 -54.91 23.64 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.159 -0.963 . . . . 0.0 108.448 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.93 93.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.51 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.48 -42.37 43.13 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.61 -42.28 95.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 51.9 m80 -61.0 -36.85 80.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.708 -0.62 . . . . 0.0 109.618 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -59.75 -50.13 75.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 110.33 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -61.39 -40.07 93.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.973 -1.079 . . . . 0.0 108.811 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.46 -0.93 19.06 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.408 -0.807 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.01 -52.18 10.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.248 -0.908 . . . . 0.0 109.463 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -69.91 -40.03 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.218 -0.926 . . . . 0.0 109.114 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -76.84 154.77 33.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.187 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.56 63.6 1.61 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' CE3' ' CE ' ' A' ' 65' ' ' MET . 15.1 m0 -69.44 150.9 46.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.157 -1.202 . . . . 0.0 109.211 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 126.01 30.18 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -134.43 150.59 50.86 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.411 -0.806 . . . . 0.0 110.535 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -143.93 133.45 23.47 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.494 -0.753 . . . . 0.0 109.223 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' A' ' 48' ' ' LYS . 17.4 pttp -89.67 109.55 20.51 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.544 0.688 . . . . 0.0 109.71 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -88.68 109.45 20.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.866 -1.146 . . . . 0.0 109.391 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.92 149.39 34.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.097 -1.002 . . . . 0.0 109.777 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.49 114.19 0.01 OUTLIER Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 52' ' ' VAL . 7.3 p -172.86 33.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.492 -1.004 . . . . 0.0 108.705 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 57.87 19.52 5.81 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.03 -46.59 0.02 OUTLIER Glycine 0 N--CA 1.49 2.284 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.588 ' H ' ' CG1' ' A' ' 52' ' ' VAL . . . 87.21 160.11 34.78 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt 55.05 42.84 30.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.451 -1.029 . . . . 0.0 110.417 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.32 149.41 40.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.105 -0.997 . . . . 0.0 108.938 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.28 133.41 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 109.317 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -132.29 153.67 50.45 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.459 -0.776 . . . . 0.0 109.443 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 82.6 m-85 -124.12 140.16 53.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 109.34 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.74 111.51 23.64 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.235 -0.915 . . . . 0.0 109.309 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.51 -19.53 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.484 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.429 ' HA ' HH12 ' A' ' 70' ' ' ARG . 96.4 mmm -70.48 -3.58 18.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.019 -1.05 . . . . 0.0 109.323 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.4 p -109.96 -18.64 13.33 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.434 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 32.1 mtt -79.97 150.1 71.33 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.221 -0.925 . . . . 0.0 109.74 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.72 158.52 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.957 1.771 . . . . 0.0 111.823 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -63.59 -40.12 96.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 109.772 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -56.83 -42.39 79.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.931 . . . . 0.0 109.052 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.064 -1.022 . . . . 0.0 108.771 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.429 HH12 ' HA ' ' A' ' 63' ' ' MET . 24.3 ttm-85 -59.92 -44.74 94.12 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.453 0.644 . . . . 0.0 109.426 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.17 -39.98 88.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.689 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -63.06 -39.38 94.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.909 . . . . 0.0 109.434 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.36 -45.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.113 -0.992 . . . . 0.0 108.913 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.13 -39.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.283 -0.886 . . . . 0.0 109.423 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.07 68.12 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.937 -1.102 . . . . 0.0 108.127 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -62.97 -41.25 99.49 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.0 -39.02 93.5 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.17 27.04 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.33 -7.53 59.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.165 -1.197 . . . . 0.0 108.492 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.8 m -101.75 -0.19 34.82 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.446 -0.784 . . . . 0.0 109.351 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 -179.762 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 2.8 m -79.8 164.83 23.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.417 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 19.6 tt -131.14 130.35 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 CA-C-O 121.675 0.75 . . . . 0.0 109.888 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.472 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.4 m95 -144.99 129.53 17.98 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 m -133.43 143.19 48.71 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.161 -0.962 . . . . 0.0 111.247 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 m -77.92 152.48 79.91 Favored Pre-proline 0 N--CA 1.496 1.853 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.02 -33.56 2.28 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.477 2.118 . . . . 0.0 113.4 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.84 -45.86 91.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.804 -1.185 . . . . 0.0 108.123 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.87 -42.46 97.51 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.468 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.33 -48.52 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.975 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -51.1 -20.16 1.37 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.87 -1.144 . . . . 0.0 109.651 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.26 -10.08 59.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.047 -1.033 . . . . 0.0 109.265 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.12 121.52 28.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.219 -0.926 . . . . 0.0 108.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.21 -39.88 88.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 0.0 110.149 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.74 -16.46 23.65 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mtt -125.82 76.81 70.67 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.475 -1.015 . . . . 0.0 108.401 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -84.26 175.66 7.17 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.264 2.643 . . . . 0.0 113.432 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 165.67 38.4 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.691 -1.764 . . . . 0.0 108.691 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -71.52 -170.8 0.56 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.086 -1.243 . . . . 0.0 108.386 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.35 -41.11 60.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.91 -1.119 . . . . 0.0 109.521 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.74 86.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.758 -1.214 . . . . 0.0 109.273 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.95 -41.16 97.72 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -62.34 -43.31 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.541 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 26.0 m80 -60.81 -33.17 72.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.832 -0.542 . . . . 0.0 109.806 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.136 -0.978 . . . . 0.0 109.482 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -65.46 -40.69 93.49 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 118.669 -1.212 . . . . 0.0 108.006 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.56 -0.93 19.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.674 -0.641 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -75.24 -52.31 11.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.083 -1.011 . . . . 0.0 108.448 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.03 -41.16 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' CB ' ' HE1' ' A' ' 44' ' ' TRP . 95.9 mm-40 -84.8 152.88 23.33 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.329 -0.857 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.23 70.49 0.29 Allowed Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 4.3 m0 -67.5 170.79 6.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.954 -1.321 . . . . 0.0 108.08 178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.462 ' H ' ' CB ' ' A' ' 64' ' ' SER . 1.3 m -73.61 131.7 41.98 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -135.85 160.04 39.8 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.153 -0.967 . . . . 0.0 110.417 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -144.27 101.36 3.69 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -88.15 141.73 28.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.489 -0.757 . . . . 0.0 110.458 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.645 ' HB2' ' H ' ' A' ' 57' ' ' ALA . 24.1 mttm -148.84 88.98 1.64 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 35.1 mp0 45.34 -161.49 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.48 161.12 35.13 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.551 ' O ' ' CB ' ' A' ' 53' ' ' LYS . 24.8 t -80.94 142.0 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.154 -1.204 . . . . 0.0 108.982 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 52' ' ' VAL . 50.6 tttp 99.88 149.96 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.9 26.84 73.19 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.896 -1.681 . . . . 0.0 108.896 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.85 178.5 34.92 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm 57.67 -173.81 0.08 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.379 -1.071 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.645 ' H ' ' HB2' ' A' ' 49' ' ' LYS . . . -178.63 173.6 1.29 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 122.217 1.008 . . . . 0.0 111.5 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -140.41 122.66 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -139.18 160.73 39.11 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.854 -1.154 . . . . 0.0 112.508 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.541 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 53.0 m-85 -128.35 143.13 50.97 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -99.76 124.17 44.76 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 120.856 -1.152 . . . . 0.0 110.036 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.27 -30.0 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.404 -0.81 . . . . 0.0 111.822 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.1 mmt -70.58 14.27 0.14 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.896 -1.127 . . . . 0.0 111.583 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.462 ' CB ' ' H ' ' A' ' 45' ' ' THR . 18.4 m -117.27 -24.77 7.31 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.245 -0.91 . . . . 0.0 110.029 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.431 ' O ' ' O ' ' A' ' 66' ' ' PRO . 9.8 ptp -80.54 151.8 72.08 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.118 -0.989 . . . . 0.0 109.659 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 65' ' ' MET . 11.8 Cg_exo -40.62 167.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 122.032 1.821 . . . . 0.0 111.788 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.8 p -70.0 -29.41 66.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 110.15 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.8 -50.07 73.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.087 -1.008 . . . . 0.0 110.139 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 49.7 mp0 -69.09 -31.83 70.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.913 -1.117 . . . . 0.0 109.477 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.89 -41.45 91.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.122 -0.986 . . . . 0.0 109.243 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -40.03 94.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 109.481 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -59.89 -39.83 86.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.321 -0.862 . . . . 0.0 109.348 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.96 -46.61 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.071 -1.018 . . . . 0.0 109.795 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.14 -40.12 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.13 -0.982 . . . . 0.0 110.381 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.34 93.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.019 -1.051 . . . . 0.0 110.4 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.75 -44.66 95.63 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.83 -1.169 . . . . 0.0 108.415 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.56 -39.93 88.76 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.97 -8.93 31.55 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.584 -1.806 . . . . 0.0 108.584 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.64 -70.09 0.59 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.602 -0.94 . . . . 0.0 108.655 179.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.4 p -78.57 -53.53 7.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.192 -0.942 . . . . 0.0 110.546 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.931 0 O-C-N 121.007 -1.058 . . . . 0.0 109.723 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.478 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.7 m -81.77 167.44 19.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.343 -0.848 . . . . 0.0 109.664 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 4.9 mp -133.94 131.24 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.344 -0.848 . . . . 0.0 109.157 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 46.6 m95 -146.04 130.92 18.13 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -139.8 151.77 46.01 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.096 -1.003 . . . . 0.0 111.199 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.64 161.25 76.97 Favored Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.57 -25.4 78.69 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.398 2.065 . . . . 0.0 112.341 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.99 -43.95 94.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.574 -1.329 . . . . 0.0 108.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.47 -42.91 97.21 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.446 HG23 ' SD ' ' A' ' 28' ' ' MET . 80.6 mt -66.8 -48.81 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.425 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.564 ' SD ' HG22 ' A' ' 32' ' ' VAL . 90.4 mtp -47.76 -22.91 0.6 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.808 -1.183 . . . . 0.0 110.849 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.525 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -78.76 -10.46 59.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.797 -1.189 . . . . 0.0 110.223 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.19 128.73 34.78 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.093 -1.004 . . . . 0.0 109.435 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.75 -39.89 93.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.2 -11.72 10.03 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.446 ' SD ' HG23 ' A' ' 22' ' ' ILE . 16.6 mtt -129.34 77.2 77.86 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -1.161 . . . . 0.0 108.483 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -84.89 170.33 9.97 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 123.148 2.565 . . . . 0.0 113.792 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.39 163.98 31.91 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -69.83 -167.56 0.15 Allowed 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.024 -1.28 . . . . 0.0 108.827 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG22 ' SD ' ' A' ' 23' ' ' MET . 60.5 t -55.19 -43.79 72.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.649 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.94 82.04 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.849 -1.157 . . . . 0.0 109.21 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.87 -42.11 98.02 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.4 t -63.22 -41.6 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.956 -1.32 . . . . 0.0 107.987 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 31.5 m80 -61.71 -31.4 71.55 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.23 -40.97 83.06 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' O ' ' OE1' ' A' ' 42' ' ' GLN . 13.0 mmm180 -61.85 -44.19 97.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.146 -0.971 . . . . 0.0 109.412 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.8 3.42 25.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.17 -0.956 . . . . 0.0 110.128 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -78.21 -50.19 12.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.023 -1.048 . . . . 0.0 109.448 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.45 -49.0 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.558 -0.714 . . . . 0.0 109.717 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 38' ' ' ARG . 28.1 mp0 -83.19 151.55 25.63 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.247 -0.908 . . . . 0.0 109.911 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.51 65.37 2.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -59.93 159.69 8.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.303 -1.116 . . . . 0.0 108.846 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.3 m -77.35 118.06 19.45 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -129.64 150.37 50.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.582 -177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -140.45 122.6 15.76 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -87.89 118.03 27.14 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.102 -0.999 . . . . 0.0 109.451 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -89.49 116.58 27.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.229 -0.919 . . . . 0.0 109.915 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 52.4 39.58 27.8 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.99 177.56 3.76 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 52' ' ' VAL . 5.4 p -166.54 121.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.957 -1.32 . . . . 0.0 110.086 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -143.1 -32.6 0.47 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.265 -0.897 . . . . 0.0 108.851 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.02 5.36 0.08 OUTLIER Glycine 0 N--CA 1.488 2.137 0 N-CA-C 108.294 -1.923 . . . . 0.0 108.294 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.51 -153.84 6.7 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt 49.84 -144.2 0.51 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.917 -1.343 . . . . 0.0 108.387 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -171.85 171.92 4.99 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 117.784 -1.566 . . . . 0.0 111.69 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.86 156.31 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -130.99 155.95 45.94 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.107 -0.996 . . . . 0.0 111.222 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.533 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 96.8 m-85 -127.54 142.39 51.39 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -99.87 115.79 30.44 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.089 -1.007 . . . . 0.0 109.308 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.7 m -66.4 -13.13 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.585 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.8 mtp -73.74 -8.26 55.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.863 -1.148 . . . . 0.0 110.655 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -106.34 -18.49 13.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.166 -0.959 . . . . 0.0 109.421 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 mtp -80.28 146.88 63.26 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.337 -0.852 . . . . 0.0 109.407 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -46.25 170.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.24 0 C-N-CA 121.508 1.472 . . . . 0.0 111.467 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.9 p -71.62 -34.15 69.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.442 -0.786 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.39 -49.71 76.75 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.991 -1.068 . . . . 0.0 110.624 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -65.73 -40.17 91.89 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.681 -1.262 . . . . 0.0 110.271 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -59.84 -46.35 89.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.962 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.12 -36.34 77.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -64.64 -39.92 94.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.12 -0.987 . . . . 0.0 111.023 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -68.75 -51.79 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.836 -1.165 . . . . 0.0 110.313 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.6 mp -59.97 -38.49 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.042 . . . . 0.0 108.635 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.64 92.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.304 -0.872 . . . . 0.0 109.936 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 5.4 t60 -65.21 -40.02 93.56 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.976 -1.078 . . . . 0.0 109.183 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.59 -39.86 95.08 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.667 -1.27 . . . . 0.0 108.472 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.38 -14.8 62.64 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 tp -88.45 82.23 7.02 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.413 -1.051 . . . . 0.0 108.943 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' THR . 46.8 t 55.0 -93.11 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.457 -0.777 . . . . 0.0 109.717 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 80' ' ' SER . 31.9 m . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.723 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -79.71 159.99 26.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.199 -0.938 . . . . 0.0 109.605 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.6 mt -130.07 130.16 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -140.28 137.17 33.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.388 -0.82 . . . . 0.0 108.876 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 81.7 m -136.23 148.89 48.29 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.05 164.0 64.22 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 108.737 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.92 -34.89 90.36 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.294 1.996 . . . . 0.0 112.411 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -59.98 -44.28 94.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.004 -1.06 . . . . 0.0 108.855 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -42.1 99.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.0 109.209 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -70.56 -51.12 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 0.0 109.67 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 23' ' ' MET . 6.5 tmm? -49.91 -20.12 0.83 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.11 -0.994 . . . . 0.0 110.402 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.14 -5.48 56.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.858 -1.151 . . . . 0.0 108.538 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.65 127.99 33.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.529 -0.732 . . . . 0.0 109.228 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.2 p-10 -60.12 -38.93 84.51 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.328 -0.857 . . . . 0.0 110.177 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -57.33 -14.84 13.63 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.487 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 22.6 mtt -129.25 82.08 68.97 Favored Pre-proline 0 N--CA 1.499 1.989 0 O-C-N 121.372 -1.075 . . . . 0.0 108.897 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.17 166.17 14.51 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.867 2.378 . . . . 0.0 113.165 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.19 162.85 27.52 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 -168.47 0.18 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.792 -1.417 . . . . 0.0 108.256 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.4 t -56.57 -44.36 80.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 C-N-CA 118.768 -1.173 . . . . 0.0 109.09 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.86 -39.64 85.9 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.978 -1.076 . . . . 0.0 109.562 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.41 -39.89 91.25 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.0 t -62.25 -41.5 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.182 -1.187 . . . . 0.0 108.169 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.1 m80 -62.6 -39.67 94.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.776 -0.578 . . . . 0.0 110.235 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -55.57 -45.63 77.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.842 -1.161 . . . . 0.0 108.35 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -62.03 -48.33 80.77 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.336 -0.852 . . . . 0.0 109.021 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 3.98 1.09 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.438 -0.789 . . . . 0.0 110.208 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -71.73 -47.49 53.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.014 -1.054 . . . . 0.0 109.208 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.21 -43.95 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.602 -0.686 . . . . 0.0 109.635 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -84.88 151.95 23.92 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.316 -0.865 . . . . 0.0 109.979 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.2 65.85 0.36 Allowed Glycine 0 N--CA 1.496 2.667 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.8 m0 -58.82 150.38 24.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.034 -1.274 . . . . 0.0 108.712 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 45' ' ' THR . 9.8 t -78.63 127.98 32.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.849 -1.157 . . . . 0.0 108.244 178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -126.24 152.07 46.59 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.47 0.653 . . . . 0.0 109.975 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -140.83 130.6 24.31 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.03 107.75 19.31 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.136 -0.977 . . . . 0.0 109.52 -179.215 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -88.73 128.56 35.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.158 -0.964 . . . . 0.0 108.955 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.663 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 7.1 pm0 -77.94 158.49 29.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.176 -0.953 . . . . 0.0 110.158 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.31 -146.43 33.14 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.908 HG12 ' H ' ' A' ' 53' ' ' LYS . 32.7 t 59.13 -170.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.626 -0.926 . . . . 0.0 108.839 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.908 ' H ' HG12 ' A' ' 52' ' ' VAL . 20.9 tptm -61.93 139.98 58.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.882 -1.136 . . . . 0.0 109.692 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.96 -119.44 4.87 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' A' ' 56' ' ' LYS . . . -169.15 -4.75 0.03 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' H ' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -146.24 67.72 1.19 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.462 -1.022 . . . . 0.0 108.928 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.15 144.67 53.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 109.691 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -130.43 143.4 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -130.69 159.56 36.87 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 37.8 m-85 -125.75 140.51 52.63 Favored 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -79.09 123.11 27.03 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.863 -1.148 . . . . 0.0 109.274 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.12 -36.29 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 91.3 mmm -71.72 5.39 2.52 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 0.0 110.448 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -104.98 -21.94 13.21 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.261 -0.899 . . . . 0.0 110.107 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.6 ptp -80.12 152.21 73.66 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.002 -1.061 . . . . 0.0 108.982 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.39 169.04 0.23 Allowed 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.123 1.882 . . . . 0.0 111.92 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.5 p -68.39 -36.83 79.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.321 -0.862 . . . . 0.0 111.437 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.65 -49.51 76.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.727 -1.233 . . . . 0.0 109.631 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.83 -37.68 84.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.891 -1.131 . . . . 0.0 109.356 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -58.7 -42.82 89.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.292 -0.88 . . . . 0.0 109.598 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.97 -39.92 87.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.838 -1.164 . . . . 0.0 108.951 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -64.61 -39.6 94.01 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 109.224 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.45 -48.99 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.04 -39.99 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.199 -0.938 . . . . 0.0 109.151 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.97 81.44 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.054 -1.029 . . . . 0.0 109.159 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -60.29 -50.03 75.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.011 -1.055 . . . . 0.0 109.201 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 77' ' ' LEU . 7.9 mp -70.45 -29.98 66.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.058 -1.026 . . . . 0.0 108.986 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -38.28 94.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 pp -87.31 -11.1 50.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.263 . . . . 0.0 110.002 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -95.23 -0.57 52.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.136 -0.977 . . . . 0.0 109.12 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.298 -1.636 0 O-C-N 121.528 -0.732 . . . . 0.0 109.288 179.541 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -79.48 159.58 26.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.065 -1.022 . . . . 0.0 109.559 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.8 mm -121.61 132.08 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 109.574 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -142.78 130.37 21.33 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.1 m -136.29 148.25 47.88 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.141 -0.974 . . . . 0.0 110.932 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 158.94 82.94 Favored Pre-proline 0 N--CA 1.497 1.903 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.61 -24.89 64.77 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.329 2.019 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.21 -44.63 94.99 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -62.33 -42.16 99.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.16 -45.9 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.4 mmm -51.2 -20.43 1.56 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.505 ' O ' ' CE1' ' A' ' 76' ' ' HIS . . . -79.44 -10.29 59.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.827 -1.17 . . . . 0.0 109.622 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.02 122.59 31.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.259 -0.901 . . . . 0.0 109.113 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -60.19 -39.61 87.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -0.929 . . . . 0.0 109.448 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.17 -21.25 3.95 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -121.01 79.16 33.21 Favored Pre-proline 0 N--CA 1.502 2.142 0 O-C-N 121.098 -1.236 . . . . 0.0 109.281 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.92 167.2 22.42 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.879 2.386 . . . . 0.0 113.095 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.52 160.23 23.08 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 p -70.75 -165.39 0.11 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.759 -1.436 . . . . 0.0 108.505 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.48 -48.46 85.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.007 -1.058 . . . . 0.0 109.429 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.34 90.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.808 -1.182 . . . . 0.0 110.335 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.98 91.06 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.36 -39.54 81.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.534 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 27.6 m80 -69.9 -24.7 63.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.694 -0.629 . . . . 0.0 109.867 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -59.82 -52.55 64.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.974 -1.079 . . . . 0.0 109.942 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -69.84 -34.93 74.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.145 -0.972 . . . . 0.0 110.432 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.62 -8.38 56.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.057 -1.027 . . . . 0.0 110.189 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -72.89 -44.19 61.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.147 -0.971 . . . . 0.0 109.659 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.23 -44.01 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.621 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -82.22 151.79 26.69 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.916 . . . . 0.0 109.6 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.64 61.86 3.45 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -58.21 156.25 10.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.162 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.2 m -78.33 114.3 17.1 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -132.36 157.19 45.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.303 -0.873 . . . . 0.0 109.883 -177.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -144.78 124.08 13.02 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.361 -0.837 . . . . 0.0 108.816 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.1 100.29 13.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.134 -0.979 . . . . 0.0 109.898 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -88.8 134.99 33.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.951 -1.093 . . . . 0.0 109.328 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 65.32 39.11 5.46 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.438 0.637 . . . . 0.0 109.727 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.66 78.59 0.07 OUTLIER Glycine 0 N--CA 1.498 2.787 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.2 m -82.65 131.57 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.227 -1.161 . . . . 0.0 111.064 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -110.01 -1.17 17.77 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.53 18.18 0.04 OUTLIER Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.78 -126.99 0.97 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.3 mttp 49.41 -140.1 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.185 -1.185 . . . . 0.0 109.938 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.05 105.96 16.38 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.821 -1.174 . . . . 0.0 110.882 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 p -125.17 132.77 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -129.36 150.62 50.65 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 121.956 0.884 . . . . 0.0 111.455 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.534 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 66.2 m-85 -124.2 137.68 54.5 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.53 ' O ' ' SD ' ' A' ' 65' ' ' MET . 59.8 t0 -92.7 110.11 21.54 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.886 -1.133 . . . . 0.0 109.092 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 64' ' ' SER . 85.1 t -64.38 -33.97 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.181 -0.95 . . . . 0.0 110.641 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.538 ' SD ' ' NH2' ' A' ' 70' ' ' ARG . 80.0 mmm -69.58 14.05 0.11 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.799 -1.188 . . . . 0.0 110.218 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 62' ' ' VAL . 15.2 t -113.08 -24.55 9.4 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.446 -0.783 . . . . 0.0 109.765 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 65' ' ' MET . 2.2 mpt? -79.91 151.59 73.63 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.014 -1.054 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' MET . 91.2 Cg_exo -40.5 166.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.729 1.619 . . . . 0.0 111.65 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -68.97 -31.8 70.92 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 110.334 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.61 -50.79 72.54 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.528 -1.358 . . . . 0.0 110.722 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -68.17 -39.86 82.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.601 -1.312 . . . . 0.0 109.99 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.538 ' NH2' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 109.681 -179.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -39.81 90.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.72 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -62.76 -37.03 85.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.061 -1.024 . . . . 0.0 110.301 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.46 -48.49 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.922 -1.111 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.49 -40.82 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.987 -1.071 . . . . 0.0 109.235 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.74 81.63 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.129 -0.982 . . . . 0.0 109.512 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.505 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 24.3 t60 -60.51 -38.53 84.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.104 -0.997 . . . . 0.0 108.628 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.41 -15.15 43.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.029 -1.045 . . . . 0.0 108.967 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.71 43.31 1.31 Allowed Glycine 0 N--CA 1.499 2.869 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 80' ' ' SER . 0.3 OUTLIER -88.53 -5.08 58.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.165 -1.197 . . . . 0.0 109.256 179.416 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.628 ' N ' HD12 ' A' ' 79' ' ' LEU . 22.6 t -172.3 12.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.866 . . . . 0.0 109.034 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.299 -1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.297 179.836 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.226 0.536 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.423 ' HB2' ' HE1' ' A' ' 16' ' ' TRP . 13.9 m -79.79 166.78 21.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 0.0 108.838 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.0 mm -113.92 129.76 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.386 -0.821 . . . . 0.0 109.033 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.423 ' HE1' ' HB2' ' A' ' 14' ' ' SER . 89.0 m95 -143.42 130.34 20.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.261 -0.899 . . . . 0.0 108.639 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.1 m -130.02 139.8 50.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.414 -0.804 . . . . 0.0 109.662 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.68 176.66 3.18 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 109.003 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -65.81 -30.03 49.94 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.046 1.831 . . . . 0.0 112.65 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.46 ' H ' ' CD ' ' A' ' 20' ' ' GLN . 27.7 mp0 -60.05 -41.54 92.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.989 -1.069 . . . . 0.0 109.559 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -67.63 -40.07 84.65 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.657 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.435 HG23 ' SD ' ' A' ' 28' ' ' MET . 97.0 mt -69.56 -51.88 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.422 -0.798 . . . . 0.0 110.254 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 70.4 mtm -53.33 -23.3 8.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.563 -1.335 . . . . 0.0 110.226 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.85 59.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.868 -1.145 . . . . 0.0 109.214 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.28 126.98 33.68 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.215 -0.928 . . . . 0.0 110.05 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -60.91 -36.41 79.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.299 -0.876 . . . . 0.0 109.579 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -57.46 -27.02 57.81 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.435 ' SD ' HG23 ' A' ' 22' ' ' ILE . 49.4 mtt -128.43 81.5 70.46 Favored Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.347 -1.09 . . . . 0.0 109.118 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.15 173.92 9.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.96 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.5 162.7 32.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.433 ' C ' ' SD ' ' A' ' 23' ' ' MET . 91.9 p -70.61 -167.38 0.18 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.144 -1.209 . . . . 0.0 108.976 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.61 ' N ' ' SD ' ' A' ' 23' ' ' MET . 66.4 t -56.46 -47.34 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 121.321 -0.862 . . . . 0.0 109.721 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.62 86.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.701 -1.249 . . . . 0.0 109.46 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.29 93.71 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.54 -40.06 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.287 -1.125 . . . . 0.0 108.211 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 41.7 m80 -64.6 -31.05 72.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.694 -0.629 . . . . 0.0 109.883 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.87 -47.53 85.36 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.099 -1.0 . . . . 0.0 109.043 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 43.1 ttm180 -63.0 -43.06 99.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.922 -1.111 . . . . 0.0 109.152 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.75 2.65 7.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.347 -0.845 . . . . 0.0 110.073 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.34 -43.71 55.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.173 -0.954 . . . . 0.0 109.488 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.0 -40.87 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 109.665 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.0 159.44 14.97 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.094 -1.004 . . . . 0.0 110.207 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.23 70.6 0.89 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.605 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 15.9 m0 -55.8 152.58 9.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.512 -0.993 . . . . 0.0 109.998 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 m -77.02 126.21 30.6 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -133.77 151.36 51.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.424 -0.797 . . . . 0.0 110.39 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -140.42 139.01 35.17 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -85.59 141.65 29.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.991 -1.068 . . . . 0.0 108.881 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 64.3 tttp -156.6 112.67 2.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.051 -1.031 . . . . 0.0 109.291 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -72.62 138.54 46.82 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.989 -1.07 . . . . 0.0 108.628 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.43 -65.91 0.07 OUTLIER Glycine 0 N--CA 1.491 2.315 0 C-N-CA 119.519 -1.324 . . . . 0.0 110.272 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.668 HG23 ' H ' ' A' ' 55' ' ' GLY . 13.8 m -54.09 166.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.982 -1.304 . . . . 0.0 109.248 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.0 -39.95 87.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.212 -0.93 . . . . 0.0 109.681 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.43 98.01 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.668 ' H ' HG23 ' A' ' 52' ' ' VAL . . . 91.39 175.07 43.4 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp 55.38 32.33 18.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -1.065 . . . . 0.0 109.473 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -59.37 140.21 56.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.853 . . . . 0.0 108.843 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -122.08 146.85 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.559 -0.713 . . . . 0.0 110.09 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.33 158.2 38.87 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.9 m-85 -120.78 141.66 50.3 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.66 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -95.76 112.92 24.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.998 -1.064 . . . . 0.0 109.234 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.89 -20.51 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.0 110.037 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.6 mmm -72.03 -1.59 15.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.121 -0.987 . . . . 0.0 109.914 -178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.3 m -111.92 -19.17 12.47 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.395 -0.816 . . . . 0.0 109.676 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.605 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 47.9 mtm -80.28 151.72 72.71 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.1 Cg_exo -44.84 172.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.737 1.625 . . . . 0.0 111.682 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 t -72.41 -30.02 64.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.282 -0.886 . . . . 0.0 110.593 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.89 -48.22 82.58 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.108 -0.995 . . . . 0.0 110.772 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 38.8 mp0 -67.08 -35.17 79.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.855 -1.153 . . . . 0.0 109.585 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -59.8 -49.94 75.77 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 110.526 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -61.8 -33.79 74.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.7 -1.25 . . . . 0.0 110.533 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.38 -35.69 79.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.905 -1.122 . . . . 0.0 109.647 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.46 -48.9 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.024 -1.047 . . . . 0.0 109.566 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.8 mp -60.05 -40.44 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.839 -1.163 . . . . 0.0 108.795 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.96 88.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.167 -0.958 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -63.35 -40.04 96.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.87 -35.37 80.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.002 -1.061 . . . . 0.0 108.711 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' LEU . . . -58.75 -82.33 0.06 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' GLY . 84.7 mt 40.62 -131.36 0.36 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.477 -1.014 . . . . 0.0 110.319 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.4 t -65.99 -46.06 79.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.997 -1.064 . . . . 0.0 110.225 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.044 -1.035 . . . . 0.0 109.616 -179.656 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.544 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 3.8 m -79.92 166.64 21.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.195 -0.94 . . . . 0.0 109.699 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -133.56 128.58 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.569 -0.707 . . . . 0.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 25.7 m95 -145.31 132.56 20.54 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 m -136.47 151.07 49.07 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.135 -0.978 . . . . 0.0 110.333 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.444 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 10.7 m -73.43 153.57 89.96 Favored Pre-proline 0 N--CA 1.491 1.585 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.13 -34.33 68.11 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.916 1.744 . . . . 0.0 112.238 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -59.97 -39.12 84.55 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.918 -1.114 . . . . 0.0 108.266 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -59.83 -39.44 85.1 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' ALA . 88.9 mt -67.3 -41.77 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.3 mmt -47.79 -27.43 2.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.678 -1.264 . . . . 0.0 109.814 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.62 -11.82 59.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.797 -1.19 . . . . 0.0 109.319 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ILE . . . -85.82 114.54 22.84 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.132 -0.98 . . . . 0.0 109.303 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 30.3 p-10 -60.33 -34.27 73.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 109.49 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . . . -50.01 -26.98 9.34 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mtt -118.94 96.7 50.36 Favored Pre-proline 0 N--CA 1.503 2.191 0 O-C-N 121.309 -1.112 . . . . 0.0 109.193 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -84.59 160.74 12.55 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.644 2.23 . . . . 0.0 113.236 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 159.02 22.63 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -70.84 -168.43 0.27 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.084 -1.245 . . . . 0.0 108.922 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -56.95 -45.21 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.175 -0.953 . . . . 0.0 109.34 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.88 88.0 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.024 -1.048 . . . . 0.0 110.288 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.98 93.06 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.5 -41.43 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.311 . . . . 0.0 107.887 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.536 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 28.5 m80 -60.0 -39.71 86.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.584 -0.698 . . . . 0.0 109.557 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -59.92 -50.08 75.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.207 -0.933 . . . . 0.0 109.754 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.645 HH22 HE22 ' A' ' 42' ' ' GLN . 45.3 ttt-85 -66.91 -46.38 75.0 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 109.422 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.11 71.04 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.408 -0.807 . . . . 0.0 111.507 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -64.76 -39.98 94.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.574 -1.329 . . . . 0.0 109.863 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.66 -41.25 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.094 -1.004 . . . . 0.0 109.084 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.645 HE22 HH22 ' A' ' 38' ' ' ARG . 96.0 mt-30 -82.61 157.78 23.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.53 57.17 4.72 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 17.7 m0 -63.67 140.58 58.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.073 -1.251 . . . . 0.0 108.891 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -75.6 123.77 26.08 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 mtpm? -127.98 159.54 34.67 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.582 0.706 . . . . 0.0 110.42 -178.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -145.89 158.21 43.87 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.84 160.03 23.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.121 -0.987 . . . . 0.0 110.342 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 50' ' ' GLU . 80.2 tttt -150.98 118.48 6.06 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.336 -0.852 . . . . 0.0 109.438 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 49' ' ' LYS . 40.7 mt-10 27.91 -143.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 121.189 0.519 . . . . 0.0 111.299 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.15 117.12 0.75 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' GLY . 23.5 t -104.16 111.02 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.347 -1.09 . . . . 0.0 109.619 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' VAL . 67.6 mmtt 34.18 -89.92 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.187 0.518 . . . . 0.0 110.842 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -129.6 153.37 19.92 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 93.72 -24.22 27.06 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 55' ' ' GLY . 53.4 tttp 56.81 159.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.513 -0.992 . . . . 0.0 109.206 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.82 137.96 39.43 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.714 -1.241 . . . . 0.0 109.687 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.79 152.93 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 18' ' ' SER . 3.3 tp10 -126.23 145.29 50.45 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.31 -0.869 . . . . 0.0 109.491 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.536 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.2 m-85 -117.38 141.04 48.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.533 -0.729 . . . . 0.0 109.116 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 35.5 p-10 -96.06 124.22 39.98 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.059 -1.026 . . . . 0.0 108.964 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.13 -16.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.096 -1.002 . . . . 0.0 110.964 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -74.15 -9.98 59.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.013 -1.054 . . . . 0.0 110.463 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.4 p -104.98 -11.97 16.4 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.305 -0.872 . . . . 0.0 109.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.9 mtt -76.64 146.85 77.39 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.906 -1.121 . . . . 0.0 108.887 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.29 155.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.029 1.819 . . . . 0.0 112.114 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -60.02 -40.05 87.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.061 -1.024 . . . . 0.0 110.124 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.89 -47.58 84.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.823 -1.173 . . . . 0.0 109.622 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE2' ' NH2' ' A' ' 38' ' ' ARG . 92.0 mt-10 -66.32 -39.38 89.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.94 . . . . 0.0 109.083 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -59.03 -40.1 84.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.474 -0.766 . . . . 0.0 109.09 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -61.06 -39.93 91.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.328 -0.857 . . . . 0.0 109.68 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -63.71 -39.82 95.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 110.323 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.65 -43.85 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.044 -1.035 . . . . 0.0 110.076 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.03 -39.98 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.933 -1.104 . . . . 0.0 109.168 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -59.92 -39.8 86.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.37 -0.831 . . . . 0.0 109.382 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -66.17 -37.44 85.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.312 -0.867 . . . . 0.0 110.586 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -40.01 87.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.539 -1.35 . . . . 0.0 109.813 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 80' ' ' SER . . . -101.34 -20.66 13.02 Favored Glycine 0 N--CA 1.499 2.865 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 75' ' ' ALA . 13.0 mt 53.51 13.52 0.47 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.108 -1.231 . . . . 0.0 109.021 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 78' ' ' GLY . 62.0 m -164.86 -15.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 109.481 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.544 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 9.9 m -158.89 166.53 31.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 109.582 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 72.5 mt -131.47 130.09 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 21.7 m95 -140.06 136.46 33.66 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 m -139.77 147.64 41.1 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.831 -1.168 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 168.42 23.61 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.183 -0.948 . . . . 0.0 110.274 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.23 -28.14 14.24 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.842 2.361 . . . . 0.0 113.51 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.96 -43.39 95.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.838 -1.164 . . . . 0.0 109.181 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -69.39 -41.41 76.49 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.284 -0.967 . . . . 0.0 109.002 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -69.8 -53.36 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.0 110.125 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.571 ' SD ' HG22 ' A' ' 32' ' ' VAL . 80.6 mtp -51.28 -24.46 4.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.892 -1.13 . . . . 0.0 109.916 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.29 -9.4 58.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.082 -1.011 . . . . 0.0 109.781 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.81 130.07 35.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.009 -1.057 . . . . 0.0 110.337 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.291 -0.881 . . . . 0.0 108.905 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.37 -27.18 52.9 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 28' ' ' MET . 1.8 mpt? -127.88 79.58 73.46 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.239 -1.154 . . . . 0.0 109.5 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.44 175.41 5.43 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 123.255 2.637 . . . . 0.0 112.587 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.64 164.92 37.11 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.566 -1.814 . . . . 0.0 108.566 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.5 p -69.0 -172.74 0.42 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.735 -1.45 . . . . 0.0 109.54 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.571 HG22 ' SD ' ' A' ' 23' ' ' MET . 62.0 t -53.64 -50.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.033 -1.042 . . . . 0.0 109.959 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' TYR . . . -58.54 -40.09 82.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.831 -1.168 . . . . 0.0 109.346 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.47 -46.13 94.94 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.22 -48.99 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 1.2 t60 -65.68 -28.45 69.09 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.703 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ALA . 59.9 t80 -59.85 -51.24 70.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 110.545 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 14.4 ptm180 -67.28 -39.33 86.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.9 -1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -7.95 43.98 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.0 109.218 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -76.37 -44.44 36.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.154 -0.966 . . . . 0.0 108.869 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.42 -39.82 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -79.73 155.57 27.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.24 -0.912 . . . . 0.0 110.313 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.23 57.7 3.55 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -71.46 148.42 46.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -1.203 . . . . 0.0 109.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.9 m -79.5 128.1 32.95 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -130.87 154.56 47.95 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.418 0.628 . . . . 0.0 110.214 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' CB ' ' NH1' ' A' ' 47' ' ' ARG . 1.3 ptp180 -146.42 134.08 21.05 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -86.31 156.3 20.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.648 -1.282 . . . . 0.0 110.101 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' NZ ' ' OE2' ' A' ' 59' ' ' GLU . 28.1 mtmt -152.18 153.43 33.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.471 -0.768 . . . . 0.0 109.278 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 52' ' ' VAL . 44.3 mt-10 59.5 25.3 14.09 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 56.4 6.78 1.66 Allowed Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' H ' ' C ' ' A' ' 50' ' ' GLU . 32.9 m 36.47 24.12 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.721 -0.87 . . . . 0.0 111.692 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 51' ' ' GLY . 86.5 mttt -69.27 -39.79 78.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.023 -1.048 . . . . 0.0 108.222 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.17 -34.23 0.12 Allowed Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.58 -36.62 93.38 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt 59.46 49.31 8.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.649 -0.913 . . . . 0.0 108.684 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.49 104.56 16.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.076 -1.015 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -131.5 154.03 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.506 ' OE2' ' NZ ' ' A' ' 49' ' ' LYS . 98.9 mt-10 -138.15 156.71 47.48 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.765 -1.209 . . . . 0.0 110.771 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 60' ' ' TYR . 8.9 m-85 -130.46 136.9 49.47 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 19.1 p-10 -87.47 117.48 26.29 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.649 -1.282 . . . . 0.0 110.871 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.99 -12.09 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.783 -1.198 . . . . 0.0 110.204 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 55.1 ttm -70.02 -17.54 63.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 109.659 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.6 p -102.01 -8.69 21.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.225 -0.922 . . . . 0.0 109.548 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.8 mtt -77.71 149.68 77.96 Favored Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.917 -1.114 . . . . 0.0 108.198 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.66 164.37 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.344 1.362 . . . . 0.0 111.036 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.7 m -59.85 -39.92 86.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.274 -0.891 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -59.74 -49.18 78.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.21 -0.932 . . . . 0.0 111.71 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 3.7 mp0 -65.44 -50.29 65.96 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.821 -1.174 . . . . 0.0 111.506 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -60.14 -40.12 88.73 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.618 -1.302 . . . . 0.0 110.925 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.27 -39.88 88.4 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.404 -1.435 . . . . 0.0 108.636 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -69.84 -39.77 76.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.9 t -69.59 -49.33 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.784 -1.197 . . . . 0.0 109.5 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mp -60.56 -40.13 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.039 -1.038 . . . . 0.0 108.691 179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.09 87.8 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.109 -0.994 . . . . 0.0 110.095 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.55 ' O ' HD11 ' A' ' 79' ' ' LEU . 11.8 t60 -62.29 -40.68 97.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.879 -1.138 . . . . 0.0 108.914 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.33 -11.6 48.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.114 -0.992 . . . . 0.0 108.546 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -79.44 -15.93 78.96 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -89.4 19.81 4.23 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.967 -1.314 . . . . 0.0 109.293 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 79' ' ' LEU . 8.5 p 55.02 104.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.414 -0.804 . . . . 0.0 109.941 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.613 -179.786 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.311 0.577 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -159.75 167.06 29.17 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 109.6 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 87.9 mt -120.55 133.22 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.688 -0.633 . . . . 0.0 109.641 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -139.73 132.43 28.97 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.4 m -130.04 141.12 50.77 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.994 -1.066 . . . . 0.0 110.885 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.06 163.78 65.94 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.21 -42.02 67.5 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.397 2.065 . . . . 0.0 112.366 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -60.04 -42.55 94.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.828 -1.17 . . . . 0.0 108.554 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.44 -40.65 97.27 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -69.71 -47.18 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.799 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.3 mmm -43.42 -30.03 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.062 -1.024 . . . . 0.0 111.292 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.13 -9.97 59.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.71 -1.244 . . . . 0.0 109.607 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.97 121.02 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.01 -39.37 85.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -46.73 -24.59 1.89 Allowed Glycine 0 N--CA 1.492 2.4 0 O-C-N 121.32 -0.862 . . . . 0.0 111.183 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 mmt -119.82 87.38 37.82 Favored Pre-proline 0 N--CA 1.502 2.167 0 O-C-N 121.196 -1.179 . . . . 0.0 109.522 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.48 153.39 20.73 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.854 1.702 . . . . 0.0 111.931 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.44 162.86 15.12 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 p -74.36 -168.31 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.999 -1.295 . . . . 0.0 109.582 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.26 -50.31 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.905 -1.122 . . . . 0.0 108.439 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.42 87.41 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.271 -0.893 . . . . 0.0 109.055 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.76 -40.35 88.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 43.3 m80 -64.29 -40.02 95.1 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.397 -0.814 . . . . 0.0 108.826 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -60.11 -50.07 75.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.369 -0.832 . . . . 0.0 110.422 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -65.7 -51.82 56.31 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.881 -1.137 . . . . 0.0 109.875 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.9 -7.54 11.85 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.131 -0.98 . . . . 0.0 110.81 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.13 -40.33 94.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.699 -1.25 . . . . 0.0 109.761 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.8 -39.86 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.104 -0.998 . . . . 0.0 109.455 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.509 ' OE1' ' NE1' ' A' ' 44' ' ' TRP . 79.8 mt-30 -77.05 158.98 30.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.408 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.29 53.44 1.82 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.509 ' NE1' ' OE1' ' A' ' 42' ' ' GLN . 37.6 m0 -65.02 141.03 58.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -1.216 . . . . 0.0 109.551 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 45' ' ' THR . 9.6 t -75.35 131.1 40.02 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -126.57 147.89 49.82 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.766 -0.584 . . . . 0.0 110.016 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -144.47 130.74 19.66 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 109.001 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -89.63 106.91 18.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.185 -0.947 . . . . 0.0 110.285 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -93.32 105.38 17.46 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.986 -1.071 . . . . 0.0 109.249 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -75.55 134.23 40.78 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 121.028 -1.045 . . . . 0.0 109.79 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.27 30.84 0.08 OUTLIER Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 40.7 t -143.03 94.49 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.213 -1.169 . . . . 0.0 109.838 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 45.95 18.66 0.05 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.335 -0.853 . . . . 0.0 109.417 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . 70.57 18.89 75.95 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.53 0.78 84.6 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 53.92 75.22 0.28 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.314 -1.109 . . . . 0.0 109.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 145.03 48.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.216 -0.928 . . . . 0.0 110.184 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.2 p -132.25 143.32 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.33 158.13 44.58 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.352 -0.842 . . . . 0.0 110.293 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.559 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 22.6 m-85 -126.21 139.92 52.96 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.8 125.74 32.84 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.689 -1.257 . . . . 0.0 110.069 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.2 t -65.66 -30.12 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.275 -0.891 . . . . 0.0 110.696 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.3 mmm -70.33 -4.91 24.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.92 . . . . 0.0 110.58 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -101.87 -13.1 17.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.227 -0.92 . . . . 0.0 109.2 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 42.9 mtt -76.76 140.88 67.88 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.151 -0.968 . . . . 0.0 110.076 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -42.62 160.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.623 1.548 . . . . 0.0 111.461 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.9 m -60.65 -39.95 90.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 110.776 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -53.45 -51.26 63.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.843 -1.16 . . . . 0.0 110.149 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -69.16 -29.9 68.01 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.825 -1.172 . . . . 0.0 109.585 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.75 -50.0 75.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.68 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -31.58 72.86 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.842 -1.161 . . . . 0.0 109.467 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.56 -38.63 91.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 0.0 109.91 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.45 -45.48 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.313 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mm -61.21 -43.16 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.279 -0.888 . . . . 0.0 108.872 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.369 -0.832 . . . . 0.0 110.431 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.18 -40.99 91.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.025 . . . . 0.0 109.543 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -31.92 69.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.475 -0.766 . . . . 0.0 109.907 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.06 -43.85 97.85 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 80' ' ' SER . 1.2 pp -85.04 169.52 13.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.909 -1.348 . . . . 0.0 109.423 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 79' ' ' LEU . 67.7 m -56.72 128.72 37.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.906 -1.121 . . . . 0.0 109.898 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.062 -1.024 . . . . 0.0 109.605 179.917 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -159.72 163.47 34.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.871 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.7 mt -132.11 134.92 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -139.67 140.52 36.91 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.99 144.86 50.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.351 -0.843 . . . . 0.0 110.734 -179.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 p -72.95 155.11 90.75 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.9 -23.18 33.2 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.999 1.799 . . . . 0.0 111.978 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.92 -49.67 76.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.101 -0.999 . . . . 0.0 108.817 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.91 -42.71 94.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.26 -53.05 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.312 -0.868 . . . . 0.0 110.411 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.408 ' O ' ' SD ' ' A' ' 23' ' ' MET . 11.4 tmm? -52.31 -25.11 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.881 -1.137 . . . . 0.0 109.812 -179.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.76 -9.49 59.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.064 -1.022 . . . . 0.0 108.739 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.65 133.79 35.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.832 . . . . 0.0 109.302 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.01 -40.06 87.97 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.276 -0.89 . . . . 0.0 110.149 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.34 28.61 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.531 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -124.23 80.74 58.65 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.885 . . . . 0.0 108.706 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -86.52 167.43 8.82 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 123.013 2.476 . . . . 0.0 112.675 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.88 168.27 27.28 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.271 -2.332 . . . . 0.0 107.271 -179.036 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.1 p -68.4 -168.79 0.12 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.808 -1.407 . . . . 0.0 108.923 -179.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.74 -47.92 87.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 C-N-CA 119.221 -0.992 . . . . 0.0 109.528 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.76 83.4 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.668 -1.27 . . . . 0.0 108.951 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.16 -39.26 49.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.03 -43.0 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -1.218 . . . . 0.0 108.106 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 45.1 m80 -60.02 -36.75 77.91 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -58.99 -45.24 91.1 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.193 -0.942 . . . . 0.0 109.134 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -63.63 -43.32 97.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.965 -1.085 . . . . 0.0 108.091 179.155 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.8 0.85 6.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.731 . . . . 0.0 110.946 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 36' ' ' HIS . 5.0 m120 -72.89 -44.34 61.4 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.587 -1.321 . . . . 0.0 109.059 179.026 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.04 -47.53 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 109.204 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -80.19 155.23 27.5 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.51 70.13 0.21 Allowed Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -67.88 152.95 44.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.255 -1.144 . . . . 0.0 108.965 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 45' ' ' THR . 9.0 t -77.07 127.47 32.73 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.118 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -125.71 151.87 46.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.784 -0.573 . . . . 0.0 109.624 -178.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -146.15 126.8 14.25 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -85.54 148.62 25.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.946 -1.097 . . . . 0.0 109.156 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 10.1 mtpm? -146.26 115.01 6.86 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.18 -0.95 . . . . 0.0 108.979 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -77.41 150.89 34.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.035 . . . . 0.0 109.51 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.51 -151.66 18.0 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 53' ' ' LYS . 3.2 t 56.22 -128.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.398 -1.06 . . . . 0.0 109.633 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' H ' HG12 ' A' ' 52' ' ' VAL . 54.8 mtpt -80.68 -8.34 59.61 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.023 -1.048 . . . . 0.0 109.887 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.31 -170.22 35.47 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 -179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 69.99 23.53 77.01 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' GLY . 54.6 mttm 58.02 121.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.67 0.748 . . . . 0.0 110.077 -179.523 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 49' ' ' LYS . . . -96.47 148.79 22.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.516 -0.74 . . . . 0.0 109.53 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.04 141.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 50.1 mp0 -130.04 157.72 41.6 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.34 -0.85 . . . . 0.0 110.55 -178.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 89.0 m-85 -129.31 136.1 49.61 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -86.11 125.11 33.23 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.734 -1.229 . . . . 0.0 109.142 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' SER . 12.1 p -62.39 -30.98 50.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.071 -1.018 . . . . 0.0 110.776 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mmt -72.03 18.49 0.08 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.045 -1.035 . . . . 0.0 110.277 -179.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 62' ' ' VAL . 67.6 m -113.96 -31.59 6.34 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.434 -0.791 . . . . 0.0 111.195 -179.117 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -81.18 153.44 71.86 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 120.696 -1.253 . . . . 0.0 109.726 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 65' ' ' MET . 80.0 Cg_exo -41.88 171.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.327 2.018 . . . . 0.0 111.972 178.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -67.89 -25.35 65.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.983 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.95 -40.08 87.76 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 110.532 -178.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 55.9 mp0 -64.02 -38.6 91.66 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.733 -1.23 . . . . 0.0 110.209 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -59.98 -44.59 94.38 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.933 -1.104 . . . . 0.0 109.875 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.23 -47.03 87.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.52 -39.45 77.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.358 -0.839 . . . . 0.0 110.063 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.47 -47.46 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.984 -1.072 . . . . 0.0 109.29 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.11 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.089 -1.007 . . . . 0.0 108.506 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.34 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.209 -0.932 . . . . 0.0 108.653 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.28 -42.36 99.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.1 mm? -63.91 -39.96 95.39 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.047 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.22 -29.2 28.83 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 108.669 -1.772 . . . . 0.0 108.669 179.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.3 tp -86.86 -73.66 0.46 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.518 -0.989 . . . . 0.0 108.435 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.461 ' C ' HG23 ' A' ' 81' ' ' THR . 27.6 t -56.27 168.28 0.55 Allowed 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.461 HG23 ' C ' ' A' ' 80' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.302 -1.473 0 O-C-N 121.2 -0.937 . . . . 0.0 109.438 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.443 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 6.4 m -79.67 163.94 24.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 109.433 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 74.5 mt -126.65 129.97 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 47' ' ' ARG . 51.3 m95 -141.42 131.33 24.45 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 58.2 m -139.13 152.94 47.86 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.128 -0.982 . . . . 0.0 110.594 -179.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -72.86 153.62 91.13 Favored Pre-proline 0 N--CA 1.493 1.677 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -60.73 -26.98 84.05 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.064 1.843 . . . . 0.0 111.9 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -60.0 -44.52 94.49 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.118 -0.988 . . . . 0.0 108.399 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.81 -40.47 96.71 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.352 -0.842 . . . . 0.0 108.908 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' CG2' ' SD ' ' A' ' 28' ' ' MET . 96.7 mt -69.66 -43.93 79.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.504 ' O ' ' SD ' ' A' ' 23' ' ' MET . 13.5 tmm? -52.15 -22.29 4.11 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.323 -0.86 . . . . 0.0 109.493 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 76' ' ' HIS . . . -79.24 -5.41 54.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.17 -0.956 . . . . 0.0 109.355 179.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 128.79 34.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.879 . . . . 0.0 109.773 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -60.1 -39.88 87.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.919 . . . . 0.0 108.829 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.12 -16.31 18.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.543 ' SD ' ' CG2' ' A' ' 22' ' ' ILE . 6.1 mtt -128.42 79.39 74.22 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.402 -1.058 . . . . 0.0 108.893 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.27 167.55 21.32 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.793 -179.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.87 163.74 22.27 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 -179.044 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 p -69.78 -167.98 0.17 Allowed 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.715 -1.462 . . . . 0.0 108.503 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -57.06 -49.96 77.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.543 0 C-N-CA 118.873 -1.131 . . . . 0.0 108.536 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.63 86.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.132 -0.98 . . . . 0.0 109.474 179.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.48 -40.25 31.07 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.37 -40.55 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.988 -1.301 . . . . 0.0 108.764 179.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CD2' ' HH ' ' A' ' 60' ' ' TYR . 30.6 m80 -61.79 -28.85 69.75 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.372 -0.83 . . . . 0.0 109.226 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -60.04 -50.01 75.39 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.87 -40.09 96.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.155 -0.966 . . . . 0.0 108.531 178.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.85 0.82 3.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.647 -0.658 . . . . 0.0 109.678 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -73.19 -53.33 11.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 109.08 178.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.03 -42.02 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.51 -0.744 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -83.15 149.81 26.64 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.329 -0.857 . . . . 0.0 109.845 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.5 70.47 0.23 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.632 ' CZ3' ' SD ' ' A' ' 65' ' ' MET . 24.5 m0 -66.95 165.58 15.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -1.14 . . . . 0.0 108.961 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.1 m -74.27 130.05 38.97 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -132.32 150.02 52.24 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.341 -0.849 . . . . 0.0 110.746 -177.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 16' ' ' TRP . 33.7 ptt180 -149.94 -179.99 7.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -145.58 127.42 15.37 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.878 -1.139 . . . . 0.0 110.302 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.31 126.6 36.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.456 -0.778 . . . . 0.0 109.487 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -76.68 147.5 37.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.205 -0.934 . . . . 0.0 109.514 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.65 -139.05 14.46 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 t 59.97 80.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.685 -0.891 . . . . 0.0 109.571 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.89 15.69 5.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.45 9.79 6.84 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . -94.32 6.35 71.65 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 120.995 -1.297 . . . . 0.0 109.938 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 55' ' ' GLY . 57.6 mttp 57.86 129.99 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.777 -0.837 . . . . 0.0 110.057 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.02 142.85 46.94 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.515 -0.741 . . . . 0.0 110.041 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.63 141.39 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.114 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -130.95 155.0 47.53 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.293 -0.879 . . . . 0.0 110.632 -179.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.497 ' HH ' ' CD2' ' A' ' 36' ' ' HIS . 87.3 m-85 -126.9 136.74 52.72 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.27 115.96 26.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.974 -1.079 . . . . 0.0 109.705 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 t -65.86 -21.24 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.135 -0.978 . . . . 0.0 109.418 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.3 tpp -71.67 -5.1 31.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.485 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.5 t -105.95 -18.73 13.95 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.632 ' SD ' ' CZ3' ' A' ' 44' ' ' TRP . 42.3 mtm -79.78 148.71 69.49 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.926 -1.109 . . . . 0.0 110.025 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -43.82 163.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.836 1.691 . . . . 0.0 111.6 178.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.4 m -62.42 -39.87 94.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.955 . . . . 0.0 110.334 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.3 -50.65 69.02 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.132 -0.98 . . . . 0.0 110.537 -178.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -65.47 -39.2 91.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.027 -1.046 . . . . 0.0 109.829 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.59 -44.68 93.29 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.999 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.52 -39.93 95.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.168 -0.957 . . . . 0.0 110.442 -179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -68.94 -39.95 79.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.69 -44.86 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.968 -1.083 . . . . 0.0 108.839 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.96 -40.1 82.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.7 -38.83 70.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.903 -1.123 . . . . 0.0 108.941 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.464 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 11.8 t60 -64.79 -34.99 79.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.211 -0.931 . . . . 0.0 109.032 179.575 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.05 -40.05 88.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.111 -0.993 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -57.0 -55.42 30.38 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt 39.96 -88.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.887 -0.773 . . . . 0.0 110.299 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 78' ' ' GLY . 30.9 t -139.78 13.9 2.5 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.799 -1.188 . . . . 0.0 108.471 179.295 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.297 -1.688 0 O-C-N 121.742 -0.599 . . . . 0.0 109.731 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.362 0.601 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -160.01 161.18 33.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.348 -0.845 . . . . 0.0 109.407 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.6 mt -130.5 129.98 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.499 -0.751 . . . . 0.0 109.353 179.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CZ2' ' NH2' ' A' ' 47' ' ' ARG . 65.8 m95 -140.24 135.5 32.4 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 96.1 m -133.14 143.82 49.51 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.162 -0.961 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.92 161.19 78.63 Favored Pre-proline 0 N--CA 1.491 1.62 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.6 -32.83 91.53 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.402 2.068 . . . . 0.0 111.961 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.97 -47.89 83.97 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.507 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.57 -49.43 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.529 -0.732 . . . . 0.0 110.329 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 56.1 mtm -52.19 -22.74 4.61 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.608 -1.307 . . . . 0.0 110.353 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.97 -10.0 59.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.698 -1.251 . . . . 0.0 109.091 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.18 35.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.2 -0.937 . . . . 0.0 109.245 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 38.7 p-10 -62.05 -24.86 67.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.0 109.38 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -66.69 -30.63 76.61 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.0 mpt? -120.74 79.02 30.9 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.434 -1.039 . . . . 0.0 109.259 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -83.05 168.89 13.33 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.767 2.311 . . . . 0.0 112.52 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 167.58 35.11 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 p -71.31 -171.72 0.64 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.067 -1.255 . . . . 0.0 109.446 -179.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' N ' ' SD ' ' A' ' 23' ' ' MET . 49.0 t -57.52 -45.35 86.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.86 90.64 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.78 -1.2 . . . . 0.0 110.018 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.2 97.79 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.848 -1.701 . . . . 0.0 108.848 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.66 -40.04 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -1.044 . . . . 0.0 108.192 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 60' ' ' TYR . 25.1 m80 -69.58 -28.46 65.99 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.5 -0.75 . . . . 0.0 109.972 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -59.97 -51.21 70.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.986 . . . . 0.0 110.727 -178.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 15.0 ptm180 -70.63 -41.48 72.13 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.607 -1.308 . . . . 0.0 109.681 179.493 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.93 -2.9 19.72 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 0.0 110.018 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -74.6 -43.02 57.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -0.871 . . . . 0.0 109.204 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.9 -44.97 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.545 -0.722 . . . . 0.0 109.788 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.81 HE21 ' HE1' ' A' ' 44' ' ' TRP . 27.0 mt-30 -80.02 158.29 26.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.119 -0.988 . . . . 0.0 109.94 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.84 68.42 1.75 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.81 ' HE1' HE21 ' A' ' 42' ' ' GLN . 13.5 m0 -62.01 147.97 45.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.406 -1.055 . . . . 0.0 110.267 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -75.74 123.71 26.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 177.583 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HZ2' ' HE2' ' A' ' 60' ' ' TYR . 21.6 mtpp -134.89 151.24 50.71 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.4 -0.813 . . . . 0.0 111.196 -177.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 ptp180 -147.22 140.47 25.32 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.006 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -90.16 103.84 16.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.951 -1.093 . . . . 0.0 109.235 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -85.98 112.68 21.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.026 -1.046 . . . . 0.0 109.214 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -78.63 150.45 32.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.506 -0.746 . . . . 0.0 109.451 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.7 -52.49 0.42 Allowed Glycine 0 N--CA 1.492 2.417 0 C-N-CA 119.647 -1.263 . . . . 0.0 110.097 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.97 134.8 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.085 -1.244 . . . . 0.0 109.45 -179.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 54' ' ' GLY . 63.1 mttp -60.2 130.18 45.41 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 56' ' ' LYS . . . 51.88 176.23 0.04 OUTLIER Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 56' ' ' LYS . . . 68.32 -41.32 0.29 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.876 -1.289 . . . . 0.0 109.876 179.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 54' ' ' GLY . 30.4 tptt 60.35 125.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.472 -1.017 . . . . 0.0 109.567 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.92 133.87 34.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.952 -1.093 . . . . 0.0 109.655 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.8 m -127.42 143.46 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -133.35 160.0 38.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.538 -0.726 . . . . 0.0 110.086 -179.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 36' ' ' HIS . 52.5 m-85 -123.48 148.63 46.04 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.31 116.5 28.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.068 -1.02 . . . . 0.0 108.97 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.85 -34.07 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.926 . . . . 0.0 110.534 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.0 mtp -68.53 -6.45 25.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.052 -1.03 . . . . 0.0 109.193 -178.515 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.7 p -102.63 -12.42 17.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 54.0 mtt -77.47 142.72 67.29 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.602 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -44.98 157.96 0.19 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.731 1.621 . . . . 0.0 112.067 179.062 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.0 m -60.02 -39.89 87.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.137 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' OE1' ' A' ' 72' ' ' GLN . 39.8 tttm -53.4 -49.56 67.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.119 -0.988 . . . . 0.0 109.582 -179.115 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -66.23 -38.68 88.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.985 -1.072 . . . . 0.0 110.473 179.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -58.45 -39.27 79.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 109.659 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.97 -46.08 90.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.981 . . . . 0.0 109.505 -179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 68' ' ' LYS . 1.9 mp0 -68.36 -39.99 81.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.898 . . . . 0.0 110.513 -179.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.76 -50.92 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 120.847 -1.158 . . . . 0.0 110.018 -179.095 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.97 -40.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.196 -0.94 . . . . 0.0 109.596 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.97 -39.37 71.69 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -66.71 -37.7 85.23 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.82 -40.33 92.37 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.075 -1.015 . . . . 0.0 109.569 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' O ' ' N ' ' A' ' 80' ' ' SER . . . -57.76 -64.77 4.06 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.409 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' C ' HD13 ' A' ' 79' ' ' LEU . 0.5 OUTLIER 41.84 -88.54 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.643 -0.916 . . . . 0.0 110.061 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' GLY . 12.8 m -154.35 -0.36 0.19 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.581 -1.324 . . . . 0.0 109.767 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 109.32 -179.875 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.5 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 1.2 m -79.26 159.98 27.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.162 -0.961 . . . . 0.0 108.885 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.2 mt -134.39 131.88 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.397 -0.814 . . . . 0.0 109.608 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 34.9 m95 -145.43 130.03 17.98 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 97.9 m -128.03 139.93 52.26 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.276 -0.89 . . . . 0.0 110.493 -178.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 175.84 3.68 Favored Pre-proline 0 N--CA 1.492 1.666 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.28 -32.13 42.43 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 121.918 1.745 . . . . 0.0 112.483 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -60.07 -47.45 85.8 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.951 -1.093 . . . . 0.0 109.348 -179.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.44 -44.89 95.37 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.174 -0.953 . . . . 0.0 108.738 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -70.02 -51.29 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.58 -0.7 . . . . 0.0 109.648 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 31' ' ' SER . 33.6 mmm -42.92 -30.78 0.43 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 111.621 -178.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.25 -6.98 58.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.799 -1.188 . . . . 0.0 109.636 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.63 127.27 32.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.089 -1.007 . . . . 0.0 109.945 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.06 -39.34 85.68 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.359 -0.838 . . . . 0.0 109.483 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.553 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -56.36 -16.96 16.89 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 -179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.498 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -130.02 79.87 72.18 Favored Pre-proline 0 N--CA 1.502 2.128 0 O-C-N 121.084 -1.245 . . . . 0.0 109.126 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.6 164.99 14.16 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.938 2.425 . . . . 0.0 112.693 -179.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.6 166.91 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' C ' ' SD ' ' A' ' 23' ' ' MET . 24.7 p -71.83 -167.6 0.3 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.001 -1.294 . . . . 0.0 109.328 -179.456 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.81 -48.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.105 -0.997 . . . . 0.0 108.534 -179.338 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.97 87.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.119 -0.988 . . . . 0.0 109.749 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.26 -39.99 93.29 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -179.298 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.63 -41.41 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.247 -1.149 . . . . 0.0 108.418 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 36.9 m80 -61.54 -38.22 86.64 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.645 -0.659 . . . . 0.0 109.834 179.674 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -59.95 -49.97 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.023 -1.048 . . . . 0.0 109.837 -178.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.553 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 63.7 ttt180 -63.2 -49.44 74.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.937 -1.102 . . . . 0.0 109.745 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.97 3.83 3.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.266 -0.897 . . . . 0.0 110.685 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.38 -40.96 73.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.885 -1.134 . . . . 0.0 108.789 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.8 t -70.19 -46.27 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.529 -0.732 . . . . 0.0 109.601 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -74.04 143.14 45.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 109.672 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.19 55.55 4.76 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -62.36 145.14 54.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 0.0 109.4 179.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.2 m -72.7 129.99 39.5 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -127.48 139.61 52.69 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.585 -0.697 . . . . 0.0 109.206 -179.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 47' ' ' ARG . 1.6 ptm180 -140.8 124.71 17.19 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 108.87 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 106.12 18.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.412 -0.805 . . . . 0.0 110.582 -178.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -91.0 99.4 12.45 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.213 -0.929 . . . . 0.0 108.922 178.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 50' ' ' GLU . 57.4 mp0 -80.13 154.24 28.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 179.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.86 40.45 25.87 Favored Glycine 0 N--CA 1.492 2.416 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.974 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.91 -130.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.066 -1.255 . . . . 0.0 109.467 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.1 135.62 56.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.081 -1.012 . . . . 0.0 109.351 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 45.76 -113.53 1.04 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.89 146.96 15.42 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 59.5 45.95 12.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.625 -0.927 . . . . 0.0 109.682 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.09 136.99 58.19 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.851 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.76 142.69 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.51 -0.744 . . . . 0.0 109.17 -179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 57.5 mp0 -129.28 154.73 46.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.793 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 97.6 m-85 -122.37 136.43 54.9 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 12.2 p-10 -84.92 117.3 23.84 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.782 -1.199 . . . . 0.0 109.167 179.319 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 t -67.45 -19.88 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.087 -1.008 . . . . 0.0 111.279 -179.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 75.9 mtp -72.73 3.85 4.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.762 -1.211 . . . . 0.0 110.885 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.0 p -108.1 -18.2 13.84 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.12 -0.987 . . . . 0.0 110.821 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.9 ptp -82.29 149.96 63.04 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.68 -1.263 . . . . 0.0 109.616 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -169.86 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.942 1.762 . . . . 0.0 111.967 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 68' ' ' LYS . 9.5 t -74.04 -38.36 64.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.25 -0.906 . . . . 0.0 112.741 -177.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 67' ' ' THR . 62.5 mttp -55.04 -52.46 63.1 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.401 -1.437 . . . . 0.0 111.035 -177.404 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 45.8 mp0 -66.58 -37.24 84.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.891 -1.13 . . . . 0.0 110.094 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.72 -41.51 91.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.948 -1.095 . . . . 0.0 109.716 -179.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.18 -39.93 88.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.057 -1.027 . . . . 0.0 109.739 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -64.65 -40.03 94.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 0.0 109.544 -179.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.46 -51.37 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.971 -1.08 . . . . 0.0 109.491 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.53 -41.82 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.88 -1.137 . . . . 0.0 109.737 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -60.46 -31.93 70.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.197 -0.939 . . . . 0.0 110.024 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -64.25 -43.88 93.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.084 -1.01 . . . . 0.0 110.255 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mm? -59.99 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.901 -1.124 . . . . 0.0 109.454 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.84 -26.89 57.7 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER 59.52 17.04 5.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.463 -1.022 . . . . 0.0 108.555 -179.748 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.419 ' H ' ' H ' ' A' ' 81' ' ' THR . 56.5 m -166.71 -15.8 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.443 -0.786 . . . . 0.0 109.558 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.419 ' H ' ' H ' ' A' ' 80' ' ' SER . 12.5 t . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.199 -0.938 . . . . 0.0 109.58 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.447 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 5.2 m -79.91 164.88 23.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.367 -0.833 . . . . 0.0 109.044 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 76.4 mt -130.94 130.13 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' CH2' ' CZ ' ' A' ' 47' ' ' ARG . 41.7 m95 -140.77 133.16 28.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.189 -0.945 . . . . 0.0 108.645 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 76.9 m -130.01 140.0 50.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.357 -0.84 . . . . 0.0 109.917 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -74.99 165.52 53.26 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -179.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.75 -29.21 79.7 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 121.853 1.702 . . . . 0.0 112.727 -179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -58.87 -44.97 91.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.94 -1.1 . . . . 0.0 108.279 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 39.7 mp0 -65.23 -40.64 94.32 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.584 -0.846 . . . . 0.0 108.914 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.403 HG23 ' SD ' ' A' ' 28' ' ' MET . 86.1 mt -70.47 -53.16 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 110.234 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' A' ' 32' ' ' VAL . 61.2 mtm -51.77 -21.6 2.93 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.376 -1.453 . . . . 0.0 109.715 -179.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -9.95 59.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.968 -1.083 . . . . 0.0 109.328 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.14 124.93 31.67 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.135 -0.978 . . . . 0.0 109.045 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 61.2 t0 -60.17 -40.07 88.66 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.364 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.96 -22.68 35.76 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.403 ' SD ' HG23 ' A' ' 22' ' ' ILE . 13.7 mtt -120.04 78.97 25.32 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.314 -1.109 . . . . 0.0 109.292 -179.333 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.22 161.47 23.11 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.753 2.302 . . . . 0.0 112.611 -178.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.7 161.23 22.1 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.454 ' C ' ' SD ' ' A' ' 23' ' ' MET . 77.9 p -72.75 -165.31 0.2 Allowed 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.171 -1.194 . . . . 0.0 109.367 -179.598 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' SD ' ' A' ' 23' ' ' MET . 41.9 t -56.71 -48.79 80.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.468 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.05 88.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.068 -1.02 . . . . 0.0 109.961 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.17 -45.73 94.88 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.09 -40.27 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.088 -1.243 . . . . 0.0 108.528 179.181 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CD2' ' OH ' ' A' ' 60' ' ' TYR . 20.2 m80 -68.2 -33.72 74.94 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.04 -51.76 68.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.344 -0.847 . . . . 0.0 110.748 -178.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.97 -37.92 79.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.822 -1.174 . . . . 0.0 109.691 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.12 -10.7 60.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.795 -178.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.38 -39.82 77.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.65 -43.6 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -80.34 159.53 25.74 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.4 -0.813 . . . . 0.0 109.689 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.73 60.02 4.25 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -69.7 144.83 52.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.183 -1.186 . . . . 0.0 109.705 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.5 m -78.51 121.5 24.67 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.159 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -131.97 144.3 50.72 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.573 ' CZ ' ' CH2' ' A' ' 16' ' ' TRP . 4.2 ptp180 -150.83 150.09 30.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.05 -1.031 . . . . 0.0 109.588 178.327 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -82.5 157.01 23.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.522 -0.736 . . . . 0.0 110.366 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -153.86 100.82 2.4 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -78.57 155.25 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.15 -35.82 2.19 Favored Glycine 0 N--CA 1.501 3.01 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.9 t -95.16 129.63 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.877 -1.366 . . . . 0.0 109.634 -179.513 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.51 133.23 55.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.899 . . . . 0.0 109.63 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.43 -72.1 0.27 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.05 70.71 0.04 OUTLIER Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 53.05 91.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -1.13 . . . . 0.0 108.625 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.01 157.5 21.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 0.0 109.639 -179.203 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.97 160.07 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -132.33 153.92 50.24 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -178.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' OH ' ' CD2' ' A' ' 36' ' ' HIS . 53.1 m-85 -123.71 132.49 53.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -93.86 109.23 20.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.877 -1.14 . . . . 0.0 108.843 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.3 m -66.21 -11.76 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.153 -0.967 . . . . 0.0 110.123 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 45.9 ttm -71.56 -9.77 58.73 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.083 -1.011 . . . . 0.0 108.442 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.9 p -103.47 -10.8 18.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 0.0 109.518 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -77.43 154.3 81.71 Favored Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.037 -1.039 . . . . 0.0 109.104 179.506 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.52 166.32 24.28 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.76 1.64 . . . . 0.0 110.431 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 50.7 p -60.18 -39.58 86.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.872 -1.143 . . . . 0.0 110.427 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -55.21 -58.54 7.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.939 -1.1 . . . . 0.0 110.303 -178.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.23 -40.06 82.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.049 -1.032 . . . . 0.0 110.327 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.84 -46.57 88.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.852 -1.155 . . . . 0.0 108.983 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -61.78 -39.9 93.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.552 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.94 -39.84 91.01 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 109.639 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.65 -49.52 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.98 -1.075 . . . . 0.0 108.793 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.11 -39.39 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.816 -1.177 . . . . 0.0 108.656 179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.59 -34.17 57.44 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -61.89 -40.12 94.31 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.04 -39.98 91.87 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.68 98.15 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 79' ' ' LEU . 4.4 pp -89.48 4.03 50.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.132 -1.217 . . . . 0.0 109.814 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.6 t -89.98 -2.46 58.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 109.053 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 -179.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.107 -0.701 . . . . 4.92 109.107 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.573 ' CB ' ' HE1' ' A' ' 16' ' ' TRP . 4.4 m -77.52 141.88 39.37 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.84 -1.171 . . . . 0.97 107.84 179.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.0 mt -110.02 129.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 108.644 -0.873 . . . . 1.39 108.644 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.573 ' HE1' ' CB ' ' A' ' 14' ' ' SER . 80.1 m95 -139.07 129.19 25.26 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.482 -0.933 . . . . 0.77 108.482 -179.196 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.8 m -131.56 141.38 49.68 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.449 -0.782 . . . . 0.69 109.931 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.26 160.37 82.77 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.418 -0.801 . . . . 1.55 108.85 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.38 -26.32 52.58 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.539 2.159 . . . . 0.69 111.037 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.03 -52.71 64.21 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.869 -0.789 . . . . 2.69 108.869 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.468 -0.77 . . . . 2.14 108.973 -179.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.417 HG23 ' SD ' ' A' ' 28' ' ' MET . 96.6 mt -67.05 -49.66 71.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 C-N-CA 119.592 -0.843 . . . . 0.59 108.785 179.176 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -44.83 -29.68 0.84 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.099 -1.0 . . . . 1.87 110.337 179.817 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.85 -8.24 57.78 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.958 -1.089 . . . . 0.74 109.731 -178.415 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.1 127.57 33.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.133 -0.979 . . . . 0.53 109.493 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.03 -44.07 94.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.237 -0.914 . . . . 2.29 109.944 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -52.08 -16.18 2.96 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.57 -1.012 . . . . 0.66 110.57 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.417 ' SD ' HG23 ' A' ' 22' ' ' ILE . 9.3 mtt -130.03 79.98 71.94 Favored Pre-proline 0 N--CA 1.501 2.116 0 O-C-N 121.289 -1.124 . . . . 1.05 109.865 -179.275 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.15 170.13 12.36 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.96 2.44 . . . . 0.71 112.727 -179.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 164.74 27.79 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.547 -1.821 . . . . 0.68 108.547 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' C ' ' SD ' ' A' ' 23' ' ' MET . 70.7 p -71.8 -169.04 0.41 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.015 -1.285 . . . . 0.88 108.885 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.6 -48.72 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.01 -1.056 . . . . 0.9 108.872 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.99 87.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.188 -0.945 . . . . 0.84 109.577 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.37 -41.53 71.99 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.04 -1.624 . . . . 0.7 109.04 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.84 -43.37 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.6 108.155 178.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.544 ' NE2' ' OH ' ' A' ' 60' ' ' TYR . 34.5 m80 -60.06 -39.78 87.22 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.552 -0.717 . . . . 1.02 109.497 179.632 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -55.14 -45.29 75.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.202 -0.936 . . . . 1.43 108.621 -179.613 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' NH1' ' O ' ' A' ' 27' ' ' GLY . 52.7 ttt180 -67.15 -48.76 67.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.495 -0.753 . . . . 2.72 110.052 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.22 3.57 3.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.205 -0.934 . . . . 0.79 109.637 -179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -76.68 -46.24 26.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.371 -0.831 . . . . 2.51 109.405 179.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.0 -40.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.407 -0.808 . . . . 1.33 109.247 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -84.23 150.22 25.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.332 -0.855 . . . . 2.34 109.591 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.04 61.49 2.61 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.035 -1.626 . . . . 0.77 109.035 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.596 ' CH2' ' SD ' ' A' ' 65' ' ' MET . 31.3 m0 -59.32 150.8 25.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.273 -1.133 . . . . 0.7 109.284 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 m -75.58 122.58 24.12 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 106.868 -1.53 . . . . 0.99 106.868 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -130.05 155.64 45.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.39 -0.819 . . . . 2.17 110.295 -178.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -144.96 134.44 23.18 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.668 -0.864 . . . . 2.5 108.668 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -91.34 123.0 34.43 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 3.4 110.315 -179.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 119.97 39.99 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.896 -1.149 . . . . 3.12 107.896 177.264 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.41 167.02 22.5 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.957 0.884 . . . . 4.38 111.608 -178.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 78.66 -18.2 6.03 Favored Glycine 0 N--CA 1.493 2.436 0 CA-C-N 115.996 -0.547 . . . . 3.38 113.307 176.575 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.626 HG21 ' CB ' ' A' ' 57' ' ' ALA . 2.8 t -72.5 64.29 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-N 120.177 1.988 . . . . 4.37 108.603 -179.34 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' A' ' 55' ' ' GLY . 11.5 ttmm 12.89 131.47 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.455 0 N-CA-C 116.172 1.916 . . . . 8.22 116.172 179.447 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . 15.55 44.76 0.01 OUTLIER Glycine 0 N--CA 1.507 3.423 0 CA-C-N 114.431 -1.259 . . . . 3.78 112.841 176.116 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' A' ' 53' ' ' LYS . . . -160.6 -38.03 0.02 OUTLIER Glycine 0 C--N 1.288 -2.138 0 N-CA-C 106.697 -2.561 . . . . 2.84 106.697 179.276 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 55' ' ' GLY . 25.1 mttt 57.92 119.81 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.704 -0.85 . . . . 4.62 108.704 179.016 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.626 ' CB ' HG21 ' A' ' 52' ' ' VAL . . . -76.77 117.48 18.43 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.042 -1.063 . . . . 1.26 110.357 -178.164 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.94 122.62 62.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 N-CA-C 102.933 -2.988 . . . . 1.72 102.933 176.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.66 151.2 33.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.184 -0.948 . . . . 2.18 110.076 -176.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.544 ' OH ' ' NE2' ' A' ' 36' ' ' HIS . 64.6 m-85 -116.78 138.43 51.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.814 -0.81 . . . . 0.71 108.814 -179.064 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.1 115.66 23.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.133 -0.979 . . . . 1.98 108.775 179.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.81 -20.6 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 1.32 109.693 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.08 -2.78 29.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.907 . . . . 1.7 110.654 -179.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.3 p -106.78 -15.8 14.64 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.092 -1.005 . . . . 1.39 110.047 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.596 ' SD ' ' CH2' ' A' ' 44' ' ' TRP . 8.7 mtt -79.98 147.89 66.89 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 120.838 -1.164 . . . . 1.5 109.622 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 65' ' ' MET . 76.6 Cg_exo -44.03 170.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.632 1.555 . . . . 0.79 111.345 178.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.81 86.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 1.55 109.343 179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -55.16 -55.3 32.7 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.272 -0.892 . . . . 2.97 111.546 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -60.06 -39.96 87.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.703 -1.248 . . . . 2.62 109.131 -179.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -59.97 -44.48 94.42 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.022 -1.049 . . . . 3.08 109.757 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -60.09 -39.87 87.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.559 -1.338 . . . . 2.32 108.914 179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -60.92 -40.14 92.05 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.38 -0.825 . . . . 2.26 108.813 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.52 -47.18 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.66 109.795 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.01 -42.78 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.023 -1.048 . . . . 1.38 108.544 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.495 -0.753 . . . . 0.69 110.503 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -60.18 -40.42 89.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.103 . . . . 1.06 109.109 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.64 -40.03 66.72 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.963 -1.125 . . . . 1.55 107.963 178.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.29 -20.61 37.05 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 121.31 -0.869 . . . . 1.57 113.699 -177.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -88.76 -33.96 17.28 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.365 2.082 . . . . 2.34 112.767 -177.71 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.01 -60.68 1.48 Allowed 'General case' 0 N--CA 1.51 2.563 0 O-C-N 120.235 -1.541 . . . . 4.11 110.154 179.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.12 -0.987 . . . . 5.24 109.415 -179.715 . . . . . . . . 0 0 . 1 stop_ save_