data_2hm2_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 2hm2 _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 ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.017 0 N-CA-C 112.871 -0.091 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 79.4 m -88.51 -39.36 14.24 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.783 0.325 . . . . 0.0 110.235 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -77.27 -43.12 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.5 -29.06 65.97 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.05 -49.79 12.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.558 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.96 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mt -62.43 -63.23 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.592 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.54 -39.41 70.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -28.65 56.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.224 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.25 -43.03 13.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.433 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.33 -28.4 69.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.179 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.37 -20.46 62.96 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.297 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.15 -9.69 54.61 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.68 117.25 13.02 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.518 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 3.2 p -65.84 150.82 95.99 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.766 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -32.2 -37.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 123.465 2.777 . . . . 0.0 114.179 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -73.78 -36.14 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.778 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' Q' ' 16' ' ' THR . 66.7 mt-10 -77.08 -33.27 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.944 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.32 -46.82 88.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -61.09 -51.02 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.805 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -62.35 -40.33 96.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.148 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -49.4 -51.35 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.098 0.475 . . . . 0.0 110.22 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' Q' ' 47' ' ' LEU . 37.7 mttm -56.13 -50.01 72.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.53 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.83 -44.1 56.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.057 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.95 -11.02 15.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.761 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.58 -26.23 59.8 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.651 -0.82 . . . . 0.0 108.865 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 30.67 7.08 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -123.39 -45.15 2.1 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' Q' ' 32' ' ' LEU . 37.4 t -63.22 115.68 19.59 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.686 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -46.77 146.04 6.07 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.711 1.607 . . . . 0.0 111.833 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' Q' ' 30' ' ' VAL . 4.3 mm? -117.04 153.59 32.42 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.223 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -65.53 166.04 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.566 ' C ' ' H ' ' Q' ' 36' ' ' PHE . 50.8 mm-40 -32.86 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.88 1.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.582 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . 0.566 ' H ' ' C ' ' Q' ' 34' ' ' GLU . 16.2 m-85 -111.69 147.21 36.06 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.575 0.687 . . . . 0.0 109.984 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . 0.428 ' O ' ' OH ' ' Q' ' 60' ' ' TYR . 8.9 mm-40 -137.71 -176.95 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.699 0.761 . . . . 0.0 111.328 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -67.82 171.16 6.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.98 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mm -80.24 122.25 82.64 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.938 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -39.95 146.08 0.26 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 121.841 1.694 . . . . 0.0 111.872 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -57.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.114 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.19 -10.15 9.37 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.499 -0.381 . . . . 0.0 112.832 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.56 -9.58 57.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.288 0.544 . . . . 0.0 111.758 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.31 -67.43 0.76 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.24 32.2 4.49 Favored Glycine 0 N--CA 1.468 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.691 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -126.86 -43.86 1.67 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.576 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.409 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 8.1 mt -82.48 135.54 35.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.788 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' Q' ' 52' ' ' LEU . 3.2 m-20 -82.72 172.14 13.23 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.452 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -49.86 -25.17 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.448 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.08 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.203 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.11 -30.98 70.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.583 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' Q' ' 48' ' ' ASP . 14.2 tp -66.21 -36.19 82.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 21.8 m -72.12 -47.61 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.945 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 18.5 t70 -58.21 -45.2 88.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.035 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -62.75 -39.03 92.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 15.1 mt -70.0 -54.49 12.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.576 0.703 . . . . 0.0 109.353 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' Q' ' 61' ' ' TYR . 53.5 t -63.55 -41.36 92.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.499 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.31 -39.2 78.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.529 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . 0.488 ' HG ' ' N ' ' Q' ' 60' ' ' TYR . 86.6 p -79.88 -36.73 36.16 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.534 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.1 m-85 -109.19 -3.86 16.96 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.551 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.56 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.083 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.99 -35.58 69.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.533 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -74.77 -51.85 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -78.21 -29.5 48.36 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.642 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.36 -59.36 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.794 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.51 -42.09 10.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.718 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.1 -42.97 96.71 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 20.4 tp -66.92 -47.66 71.05 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.307 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.0 -49.93 79.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.405 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 t -50.23 -62.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.14 28.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.71 -51.87 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.855 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 26.5 mt -55.54 -43.33 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -54.48 -38.56 66.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.032 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.65 -31.61 72.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 23.4 mtm -84.89 28.66 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.24 34.61 20.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.219 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mmm -120.01 65.83 0.82 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.65 -49.27 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.206 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -62.72 -44.62 95.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 28.2 mp0 -59.07 -56.21 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.473 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.71 -26.86 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.99 89.44 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -64.25 -28.0 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.84 -44.92 72.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -57.43 -17.74 14.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 . . . . . 0 C--N 1.332 -0.158 0 CA-C-O 120.814 0.34 . . . . 0.0 110.165 179.835 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 86.1 m -90.92 -29.77 17.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -76.52 -42.89 41.6 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.42 -45.24 76.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.57 -50.63 73.14 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.203 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.34 86.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.277 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.15 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.27 -40.2 67.6 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.353 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -32.13 63.72 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.935 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.46 -42.1 14.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.94 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.666 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.97 -23.5 62.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.241 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . 0.402 ' N ' HD21 ' Q' ' 14' ' ' ASN . 2.7 m120 -86.28 -9.61 56.14 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.102 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.8 114.79 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.471 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.91 156.98 82.15 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.658 -178.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -32.43 -46.97 0.28 Allowed 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.829 3.019 . . . . 0.0 115.05 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' Q' ' 18' ' ' GLU . 26.9 mp0 -70.27 -35.94 74.09 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.508 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 57.6 mp0 -75.43 -32.18 60.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.26 -48.31 80.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -63.18 -46.61 86.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.382 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -67.53 -42.49 82.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -45.98 -53.79 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -57.81 -38.83 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.605 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 8.9 ttm -77.84 -46.99 19.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -62.8 -11.37 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.951 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.98 -33.93 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.24 28.4 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.5 m -125.67 -50.76 1.61 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 110.119 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.26 122.23 68.65 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.599 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -39.34 147.52 0.15 Allowed 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.581 2.188 . . . . 0.0 113.951 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.89 137.94 44.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.456 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 69.6 mtt180 -69.36 -178.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.879 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 24.3 mm-40 25.29 -94.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.74 0.65 . . . . 0.0 111.973 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.74 82.15 0.11 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -100.94 159.48 15.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -96.8 145.89 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.29 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -64.05 164.31 10.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.716 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mm -83.51 125.54 73.6 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.057 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -37.77 116.61 0.21 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.915 1.743 . . . . 0.0 111.773 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.33 -17.15 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.869 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.11 -26.15 13.02 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.301 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.545 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.27 -8.65 59.42 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.971 0.385 . . . . 0.0 111.288 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.34 4.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.425 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -70.97 -127.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.787 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -49.7 7.04 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 65.2 mt -79.74 118.59 21.68 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.459 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.44 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 1.1 m-20 -83.24 169.95 15.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.46 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.35 -16.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.7 t -75.03 -63.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.407 . . . . 0.0 110.402 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.75 -32.01 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.075 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -64.1 -36.3 83.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.539 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 41.7 m -71.61 -44.02 65.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.178 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 9.9 t70 -59.13 -40.69 86.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.745 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -59.21 -57.38 13.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.59 -48.04 82.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.358 0.599 . . . . 0.0 110.208 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 23.9 t -61.69 -34.41 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.87 -46.05 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -81.3 -37.9 27.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.549 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 71.5 m-85 -102.15 -6.97 22.62 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.068 -0.395 . . . . 0.0 111.752 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 80.54 147.77 0.09 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 110.946 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 32.1 mp0 -52.14 -48.55 64.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.35 -47.09 58.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -175.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -81.05 -28.32 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.042 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.87 -57.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 118.943 -1.103 . . . . 0.0 108.626 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.63 -47.6 10.45 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.58 -39.33 80.05 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -68.42 -50.0 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.47 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.62 -49.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.243 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 69.0 t -49.67 -61.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.63 51.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.18 -50.86 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.534 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.32 -41.55 84.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -57.48 -40.8 79.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 109.885 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.87 -27.39 67.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mmm -83.84 22.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.343 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 60.5 32.79 20.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.223 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtp -113.81 64.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.47 -27.09 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.436 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' Q' ' 80' ' ' GLU . 10.4 mp0 -80.43 -50.45 10.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 111.201 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.49 -53.42 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.371 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.59 -34.66 67.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.298 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.13 99.46 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -64.07 -29.03 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.14 -48.04 54.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.082 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -58.18 -9.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.698 0.285 . . . . 0.0 111.48 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.649 0.261 . . . . 0.0 110.422 179.627 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 80.1 m -89.81 -39.35 13.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -74.65 -46.88 35.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -56.51 -31.51 64.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -78.24 -47.05 18.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.432 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.45 92.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.33 -62.39 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.623 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.61 -40.14 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.43 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -54.97 -30.87 60.12 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.525 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -91.85 -43.67 14.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.434 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.19 -25.49 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 109.31 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.4 -22.51 63.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.578 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.86 -9.7 58.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.85 116.88 12.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.48 ' H ' ' HG1' ' Q' ' 16' ' ' THR . 1.1 p -66.17 151.81 95.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -31.08 -42.54 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.533 2.822 . . . . 0.0 113.858 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' Q' ' 18' ' ' GLU . 19.5 mp0 -69.85 -55.12 10.63 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.754 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' Q' ' 19' ' ' GLU . 13.3 mp0 -60.24 -27.72 67.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.001 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.26 -42.67 99.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.32 -53.34 54.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.561 -1.199 . . . . 0.0 111.363 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -63.07 -40.76 98.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -49.11 -58.13 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.288 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -51.59 -37.25 49.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.445 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 48.1 mtp -78.86 -39.47 35.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.964 0.411 . . . . 0.0 110.401 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -65.93 -8.75 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.081 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.58 -27.72 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.31 31.25 6.49 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.418 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -121.09 -47.37 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.01 0.433 . . . . 0.0 109.868 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.68 118.43 19.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.46 144.84 1.83 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.661 1.574 . . . . 0.0 111.637 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.53 131.81 56.64 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.533 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 0.1 OUTLIER -69.85 176.22 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.8 99.17 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.53 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.72 -23.74 1.04 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 3.4 m-85 -121.75 154.13 37.34 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -135.08 -176.91 4.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.488 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -62.55 156.88 21.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.616 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mm -82.26 130.08 61.07 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.701 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -40.01 117.58 0.44 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.706 1.604 . . . . 0.0 111.671 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -67.9 -28.05 67.17 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.148 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.93 -27.84 48.45 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.565 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.02 -13.09 56.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.32 0.56 . . . . 0.0 112.01 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 mt -69.3 6.48 1.0 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.917 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -72.2 -126.13 0.08 OUTLIER Glycine 0 CA--C 1.532 1.132 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.047 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -45.55 5.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.547 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 78.8 mt -78.91 118.9 21.36 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.282 0.946 . . . . 0.0 111.032 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 2.1 m-20 -82.1 167.06 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.443 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.462 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.83 -19.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.041 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 61.2 t -74.58 -62.82 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 1.5 m-20 -68.54 -32.84 73.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.084 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.27 -33.99 77.08 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.14 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 23.9 m -72.86 -46.2 54.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 9.9 t70 -56.47 -39.77 73.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.846 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -58.1 -53.38 58.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.3 -49.39 74.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.18 0.514 . . . . 0.0 109.71 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.66 -35.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.33 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.45 -46.07 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 111.081 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 24.3 p -81.76 -36.0 29.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.9 m-85 -107.28 -3.35 19.81 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.296 0.498 . . . . 0.0 112.302 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.9 152.63 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 110.025 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -54.45 -43.75 71.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.56 -49.97 28.77 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.533 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.2 t80 -78.77 -28.87 44.79 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.157 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.84 -58.21 9.37 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.664 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.25 -43.74 10.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.825 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.37 -39.6 91.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 4.5 tt -68.56 -50.81 48.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.82 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.54 -47.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . 0.508 ' CG1' ' HE ' ' Q' ' 74' ' ' ARG . 22.3 t -49.79 -63.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.64 -27.56 17.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.49 -52.9 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.639 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 46.3 mt -55.36 -44.1 75.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.79 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . 0.508 ' HE ' ' CG1' ' Q' ' 70' ' ' VAL . 93.3 mtt-85 -57.16 -38.93 74.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.433 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . 0.403 ' O ' ' NE ' ' Q' ' 77' ' ' ARG . 37.6 t70 -65.2 -30.17 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.041 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 43.8 mtm -83.71 26.37 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . 0.652 ' H ' ' HE ' ' Q' ' 77' ' ' ARG . 0.0 OUTLIER 58.42 36.02 25.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.8 mmt -120.19 68.09 0.84 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' Q' ' 79' ' ' LEU . 3.5 mm? -68.96 -21.55 64.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.995 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.4 -47.37 12.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.588 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -58.24 -57.86 11.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.9 -31.1 48.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.265 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.63 93.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.34 -28.33 69.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.08 -46.48 61.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 8.2 tm0? -57.69 -12.6 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.379 179.644 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.4 m -94.03 -35.97 12.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.683 0.278 . . . . 0.0 110.356 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -75.17 -45.36 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -57.89 -25.5 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -49.78 8.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.812 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.53 -62.73 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.687 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.34 -39.42 69.99 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -55.89 -32.31 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.787 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 t -90.49 -42.04 13.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.222 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.69 -28.11 69.17 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.689 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.23 -21.38 64.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.208 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' Q' ' 14' ' ' ASN . 1.8 m-20 -84.16 -11.62 56.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.87 117.67 13.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.549 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 75.4 p -65.64 147.46 98.69 Favored Pre-proline 0 C--N 1.32 -0.707 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.55 -178.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -33.99 -39.21 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.926 2.417 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' Q' ' 18' ' ' GLU . 20.5 mp0 -73.53 -38.21 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.21 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' Q' ' 16' ' ' THR . 34.4 mt-10 -71.27 -30.65 66.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.168 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.06 -38.73 87.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -63.63 -52.86 58.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.339 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -65.08 -40.88 95.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -47.74 -62.29 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.436 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -54.06 -36.4 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.808 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.1 ttt -74.23 -42.27 60.0 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -65.54 -8.49 20.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.68 -21.39 66.1 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.039 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.79 28.78 10.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 17.2 m -118.13 -50.17 2.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 4.9 t -59.11 121.1 52.97 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.165 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -40.92 147.56 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.007 1.805 . . . . 0.0 112.567 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' Q' ' 30' ' ' VAL . 8.0 mp -116.96 126.61 53.19 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -68.91 168.31 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.61 92.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.677 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.79 -17.46 0.56 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -117.81 147.38 43.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.288 0.566 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -121.34 179.41 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.362 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -67.1 169.64 8.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 23.2 mm -83.59 114.95 56.97 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -37.82 125.36 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.786 1.657 . . . . 0.0 111.797 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -58.44 -41.07 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.253 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.13 -24.8 76.68 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.749 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -82.6 -7.01 59.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.37 6.81 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.318 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -76.35 -121.28 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.819 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -51.16 12.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.577 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 27.8 mt -72.39 97.98 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.15 166.91 20.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.453 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.48 -22.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.457 -179.013 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.44 -60.08 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.214 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.34 -33.23 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.4 -36.52 84.4 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 19.3 m -71.52 -48.1 51.0 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.899 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.7 t70 -57.14 -42.23 80.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.713 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -57.33 -54.65 44.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.954 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.64 -48.75 75.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.48 -35.06 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.42 -44.55 67.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -81.99 -37.48 26.56 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.542 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 84.3 m-85 -106.95 -6.22 17.68 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.73 152.9 0.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 50.5 mp0 -57.46 -35.18 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.58 -52.32 13.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.7 -29.8 45.65 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.776 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.68 -60.5 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.889 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.11 -45.82 11.41 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.21 -38.35 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 2.5 tt -68.15 -48.79 64.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.568 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 93.7 t -56.04 -47.17 80.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.21 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 29.5 t -48.04 -64.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.389 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.76 -29.88 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.86 -54.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.591 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 mt -54.53 -42.08 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -56.55 -38.86 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.336 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.97 -28.88 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.35 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 64.5 mtt -85.64 23.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.194 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 59.07 50.63 7.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.89 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . 0.485 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 16.2 mmt -125.15 65.55 1.13 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.139 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' Q' ' 79' ' ' LEU . 8.1 mp -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.851 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -88.5 -52.08 5.36 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . 0.485 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 10.6 mt-10 -59.21 -57.26 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.967 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.1 -28.75 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.748 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.31 77.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -67.4 -29.11 68.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.824 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' Q' ' 85' ' ' LEU . 4.2 mm? -73.52 -41.02 63.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' Q' ' 86' ' ' GLN . 2.2 tm0? -62.75 -3.86 1.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.872 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' Q' ' 85' ' ' LEU . 35.5 mtm105 . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -88.94 -38.38 14.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.371 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.67 -43.15 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.8 -41.57 74.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.7 -48.34 72.33 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.4 mt -61.91 -60.84 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.93 -37.72 71.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -57.53 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.17 -42.12 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.61 -26.28 67.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.941 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -84.62 -8.75 58.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.934 0.397 . . . . 0.0 109.966 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 70.7 mt -71.99 117.35 13.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.524 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.1 p -65.06 150.81 94.84 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -31.05 -41.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.178 0 C-N-CA 123.254 2.636 . . . . 0.0 113.633 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' Q' ' 18' ' ' GLU . 13.1 mp0 -72.03 -40.52 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.602 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.2 mt-10 -76.27 -29.3 57.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.08 -52.39 59.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.44 -47.33 86.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.94 -43.7 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.99 -47.43 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.066 0.46 . . . . 0.0 109.854 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -58.14 -43.67 87.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.27 -43.44 56.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.896 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -61.89 -8.8 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.098 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -31.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.444 0.64 . . . . 0.0 109.363 177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.95 27.23 6.1 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.3 m -117.04 -48.04 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.6 135.55 86.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.811 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -68.16 148.9 75.87 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.596 1.531 . . . . 0.0 111.463 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.79 130.02 56.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.426 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 84.2 mtt-85 -69.27 -172.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.41 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -70.31 124.28 23.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.4 -38.72 2.87 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' Q' ' 36' ' ' PHE . 1.6 m-85 -105.02 150.38 24.99 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.367 0.604 . . . . 0.0 110.688 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -138.4 -176.1 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.541 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.02 157.38 22.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.98 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.11 128.58 67.43 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.478 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -38.52 113.12 0.14 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.986 1.791 . . . . 0.0 111.831 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -62.14 -24.68 67.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.9 -26.91 33.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.57 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.532 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.57 -10.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.969 0.385 . . . . 0.0 111.822 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 74.1 mt -64.81 1.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.911 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -70.71 -115.34 0.04 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -47.99 2.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.57 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 22.3 mt -72.94 102.41 3.45 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.259 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -80.83 165.89 21.45 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.433 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.83 -20.29 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.925 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.27 -62.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.14 -31.35 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.461 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -38.09 89.82 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 21.4 m -71.59 -44.69 64.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.787 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 28.6 t70 -60.0 -42.31 93.98 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.058 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -58.0 -54.14 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.217 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.57 -48.18 75.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.138 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . 0.4 ' CG1' ' OE2' ' Q' ' 62' ' ' GLU . 40.4 t -62.99 -35.58 72.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.37 -42.58 71.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 27.4 t -82.22 -38.04 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.519 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 81.4 m-85 -106.62 -3.84 20.24 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 75.05 155.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . 0.504 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 36.1 mp0 -56.18 -37.11 69.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.217 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.98 -53.29 9.21 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.426 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 2.9 t80 -75.54 -28.51 59.08 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.827 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.77 -57.37 13.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.786 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.08 -41.9 5.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -63.7 -42.53 97.97 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 12.9 tp -67.94 -52.12 39.73 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.49 -51.21 51.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 t -50.99 -62.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.643 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.63 -30.33 13.21 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.7 -50.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.449 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.98 -43.39 81.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.777 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -55.61 -41.9 74.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.394 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.34 -29.03 70.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.812 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.6 mmm -86.37 32.25 0.64 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.438 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . 0.472 ' CD ' ' N ' ' Q' ' 77' ' ' ARG . 10.4 mpt_? 57.03 39.15 29.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.554 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mtt -120.66 58.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.26 -19.25 63.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -91.62 -47.27 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.958 0.409 . . . . 0.0 111.143 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -60.68 -54.26 47.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -30.31 65.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.5 81.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -66.44 -28.56 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.61 -45.57 68.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -62.07 -7.21 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.247 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 . . . . . 0 CA--C 1.53 0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.055 -179.749 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 21.9 m -88.8 -35.78 16.44 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -76.56 -42.84 41.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.04 -35.97 67.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.56 -49.19 50.59 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.57 90.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.116 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.9 -58.87 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.47 -40.9 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.11 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . 0.424 ' O ' ' ND2' ' Q' ' 14' ' ' ASN . 0.4 OUTLIER -55.53 -33.89 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.288 -179.495 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.9 t -90.02 -43.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.72 -26.83 68.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.466 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -70.35 -24.5 62.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' Q' ' 10' ' ' LYS . 3.8 m-80 -84.92 -8.69 58.66 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.007 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.42 119.77 15.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.547 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 7.5 p -63.2 150.38 89.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -31.26 -43.97 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 123.226 2.617 . . . . 0.0 113.288 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.66 -39.55 70.24 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.486 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' Q' ' 16' ' ' THR . 46.6 mt-10 -73.82 -30.53 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.46 -54.0 43.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -63.07 -41.79 99.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -64.26 -41.41 96.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -47.77 -42.11 24.9 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -60.4 -43.34 96.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.55 -48.89 15.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.71 -10.65 28.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.332 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.99 -39.68 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 31.4 4.75 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 79.8 m -117.64 -40.75 3.0 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.88 136.53 93.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.674 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.24 149.24 88.86 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.268 1.312 . . . . 0.0 110.65 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -119.05 135.83 54.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.991 0.424 . . . . 0.0 110.134 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' Q' ' 36' ' ' PHE . 75.7 mtt-85 -68.75 169.61 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.231 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' Q' ' 36' ' ' PHE . 15.0 mm-40 -39.0 -88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.486 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -32.89 -26.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.189 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' Q' ' 34' ' ' GLU . 10.1 m-85 -100.93 133.15 45.85 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.507 0.67 . . . . 0.0 110.447 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.25 -177.63 3.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.792 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -66.93 170.04 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.168 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mm -91.16 117.27 67.76 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -39.67 112.65 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.53 1.486 . . . . 0.0 111.643 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -61.25 -20.78 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.59 -26.84 28.81 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.274 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.436 ' O ' ' CD1' ' Q' ' 47' ' ' LEU . . . -82.64 -8.68 59.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.99 0.395 . . . . 0.0 111.929 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -73.04 1.08 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.588 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.56 -122.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.051 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -50.88 11.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.7 mp -76.9 108.23 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 27.5 m-20 -82.8 169.31 16.26 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.451 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.69 -18.97 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.939 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 57.4 t -76.8 -63.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 109.889 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 0.9 OUTLIER -68.14 -32.94 73.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.549 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.11 -35.15 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 15.5 m -72.58 -45.48 58.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.5 t0 -59.12 -48.03 83.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.024 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -58.78 -40.6 84.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.28 -55.68 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.142 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.32 -34.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.104 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.71 -45.9 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.4 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -81.61 -37.11 28.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' O ' ' O ' ' Q' ' 61' ' ' TYR . 96.4 m-85 -109.59 22.62 15.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.134 -0.354 . . . . 0.0 111.65 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 50.72 153.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.74 0.781 . . . . 0.0 112.181 178.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -52.95 -45.95 67.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.189 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' Q' ' 64' ' ' TYR . 5.4 p-10 -74.02 -50.3 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' Q' ' 63' ' ' ASP . 27.9 t80 -75.49 -26.5 58.21 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.161 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -61.63 -56.2 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.386 -0.926 . . . . 0.0 108.758 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.77 -44.01 6.44 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.833 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.83 -39.87 90.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -66.91 -51.02 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.302 178.725 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.35 -49.94 78.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.494 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -50.16 -64.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.86 -29.13 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 79.4 t -69.19 -50.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.641 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.49 -44.99 81.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.695 -0.402 . . . . 0.0 109.932 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -56.66 -40.72 75.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.294 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.66 -27.12 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.453 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtm -86.53 15.75 5.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.236 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 70.64 40.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.5 mmt -120.76 65.37 0.85 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' Q' ' 79' ' ' LEU . 3.2 mm? -70.41 -20.74 62.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.701 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.63 -50.51 6.03 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' Q' ' 81' ' ' GLU . 55.5 mp0 -58.39 -51.43 69.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.91 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -65.27 -30.71 71.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.836 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.16 -45.7 72.78 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.62 -19.31 37.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.204 179.761 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m -90.37 -40.3 12.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.781 0.324 . . . . 0.0 110.423 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -72.29 -45.68 59.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -56.91 -30.62 64.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -79.52 -47.04 16.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.138 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.08 89.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.804 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.42 -61.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.649 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mt -53.3 -40.77 65.02 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.55 -33.76 60.69 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.821 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -91.64 -40.36 12.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.13 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.22 -26.72 67.93 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.403 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.33 -23.58 63.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.16 -10.5 56.63 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.908 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.56 119.34 15.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.544 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.7 p -66.31 151.3 96.07 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -31.81 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 123.211 2.608 . . . . 0.0 113.496 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -70.19 -36.32 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.628 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' Q' ' 16' ' ' THR . 41.9 mt-10 -75.71 -30.07 59.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.87 -55.07 33.64 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.45 -44.34 92.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.1 -38.79 92.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -50.55 -51.3 49.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 110.19 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 23.3 mtmt -57.59 -48.74 78.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.962 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ttt -72.94 -42.09 63.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.239 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 23.1 mmtm -62.21 -9.75 8.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -34.55 68.93 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.404 0.621 . . . . 0.0 109.558 177.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.67 30.59 3.45 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.211 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 54.4 p -129.46 -44.78 1.23 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.365 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.57 114.16 8.83 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.225 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.25 143.48 10.69 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.378 1.385 . . . . 0.0 110.687 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' Q' ' 32' ' ' LEU . 1.9 mm? -103.68 150.27 24.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.233 0.54 . . . . 0.0 111.475 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 56.2 mtt-85 -67.81 -179.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.715 178.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 46.6 mm-40 20.22 -92.17 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.8 0.688 . . . . 0.0 112.107 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.38 86.83 0.1 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.731 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -99.95 158.78 15.57 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -91.02 154.78 19.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.4 0.619 . . . . 0.0 111.043 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -59.69 170.62 1.05 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.357 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 25.5 mm -95.93 117.37 66.39 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 119.451 -0.309 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -40.89 108.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.464 1.443 . . . . 0.0 111.025 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.72 -19.99 63.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.049 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.97 -20.17 40.39 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.29 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' Q' ' 47' ' ' LEU . . . -86.72 -15.44 39.48 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.098 0.449 . . . . 0.0 112.079 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . 0.523 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 60.6 mt -71.61 -8.74 55.95 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.081 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.591 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -57.03 -114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.837 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . 0.516 ' H ' ' CD ' ' Q' ' 46' ' ' GLN . 0.7 OUTLIER -50.67 8.19 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -178.029 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.591 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.0 mp -81.04 111.38 17.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.326 0.512 . . . . 0.0 111.019 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 34.4 m-20 -81.04 166.69 20.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.448 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.91 -18.09 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 97.2 t -76.47 -63.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 3.9 m-20 -69.93 -33.94 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -64.11 -29.3 70.44 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 5.2 m -75.83 -45.23 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 30.8 t70 -59.31 -45.37 91.49 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.6 -51.23 69.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.693 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.54 -48.01 71.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.417 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.92 -36.52 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.214 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.42 -44.22 65.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.395 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.4 p -78.73 -32.26 46.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.538 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 44.5 m-85 -109.35 -6.32 15.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.538 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 78.8 150.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.0 109.937 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.26 -37.52 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.28 -53.76 9.08 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' Q' ' 64' ' ' TYR . 1.8 t80 -73.41 -31.82 64.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.052 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.659 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.47 -43.16 3.54 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -65.26 -40.0 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 21.2 tp -67.62 -44.2 78.58 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.4 t -54.09 -47.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.62 -65.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.46 -32.58 7.99 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' Q' ' 75' ' ' ASP . 63.7 t -65.15 -53.82 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.443 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.43 -37.82 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' Q' ' 76' ' ' MET . 93.2 mtt180 -67.2 -16.79 64.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' Q' ' 72' ' ' VAL . 18.7 t0 -54.04 -34.76 60.85 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . 0.451 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 17.5 mtt -84.78 -133.24 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 174.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -133.75 69.0 1.47 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -112.68 50.55 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.723 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.46 -23.0 66.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.594 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -96.57 -55.89 2.77 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -58.97 -54.9 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.83 -21.44 11.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.691 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.98 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -66.21 -29.02 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.818 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' Q' ' 85' ' ' LEU . 4.2 mm? -73.43 -27.43 61.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.297 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 -23.43 67.25 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.565 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m -89.61 -42.09 11.59 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.214 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.17 -45.96 45.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -56.19 -27.94 56.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -82.39 -45.93 14.2 Favored 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.815 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.05 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 109.863 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.38 -60.69 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.744 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.47 -39.6 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -30.24 62.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.989 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -92.36 -43.15 13.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.96 -30.1 70.05 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.95 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.27 -20.76 64.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . 0.651 ' N ' HD21 ' Q' ' 14' ' ' ASN . 1.0 OUTLIER -85.94 -9.67 56.49 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.39 119.41 14.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.529 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 11.9 p -62.32 149.24 87.99 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -32.43 -42.42 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 123.197 2.598 . . . . 0.0 113.915 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.21 -31.54 62.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.365 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' Q' ' 16' ' ' THR . 92.0 mt-10 -75.56 -34.65 60.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.498 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.12 -42.73 99.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -61.78 -52.41 64.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.614 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -42.76 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -46.31 -53.89 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.392 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -56.22 -41.67 76.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.258 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 4.3 ttt -73.42 -44.83 57.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . 0.441 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 47.1 mttm -62.43 -8.28 5.85 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.097 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.63 -28.17 65.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.79 29.76 7.64 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.69 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 74.7 p -118.95 -45.43 2.57 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.11 134.47 84.22 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.566 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.58 149.93 68.65 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.566 1.511 . . . . 0.0 111.233 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -118.12 131.68 56.4 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.834 0.349 . . . . 0.0 110.147 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.4 ' H ' ' HD2' ' Q' ' 33' ' ' ARG . 0.2 OUTLIER -70.59 -171.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.394 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -72.22 126.16 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.76 -36.36 3.7 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 0.4 OUTLIER -111.31 151.66 28.13 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.273 0.559 . . . . 0.0 110.161 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -134.94 -176.91 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.241 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . 0.483 ' CD ' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -63.37 157.25 23.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.789 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mm -82.0 129.5 64.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.576 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -37.71 110.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.186 1.924 . . . . 0.0 111.736 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.0 -16.63 52.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.817 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.3 -27.26 15.99 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.073 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.96 -8.55 59.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.87 0.335 . . . . 0.0 111.687 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' Q' ' 46' ' ' GLN . 83.1 mt -69.72 -50.29 45.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.085 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.75 20.64 2.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . 0.522 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 19.5 mt-30 -127.01 -40.93 1.83 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 111.501 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.69 125.83 30.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' Q' ' 52' ' ' LEU . 25.1 m-20 -81.68 173.52 12.25 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.46 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -49.82 -27.83 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.507 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.77 -59.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.004 0.43 . . . . 0.0 110.355 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.87 -29.65 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.5 OUTLIER -65.34 -38.4 90.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.364 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 54.9 m -69.74 -47.0 64.64 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.684 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -58.61 -43.19 89.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.986 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -59.72 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.719 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.1 -51.4 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.31 0.576 . . . . 0.0 109.733 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.91 -37.64 79.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.809 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.83 -43.1 72.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -81.77 -37.16 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.6 m-85 -108.86 -4.03 17.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.563 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.54 152.22 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.028 0.442 . . . . 0.0 110.047 -179.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.72 -38.98 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.434 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.84 -50.16 21.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -81.09 -28.69 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.931 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.13 -58.37 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.631 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.25 -44.1 10.95 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.649 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -61.32 -40.41 94.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 3.5 tt -67.23 -48.87 66.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.99 -47.04 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.198 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.61 -62.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.901 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.74 -49.28 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.539 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.21 -43.56 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -56.61 -39.74 74.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.46 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' SD ' ' CE ' ' Q' ' 26' ' ' LYS . 50.4 mmm -84.77 32.61 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 49.04 29.01 2.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.985 0.421 . . . . 0.0 110.355 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . 0.491 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 13.0 mmt -114.38 68.47 0.7 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 41.0 mt -69.52 -23.02 63.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.87 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -78.05 -47.54 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . 0.491 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 87.0 mt-10 -54.09 -56.58 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.27 -29.27 60.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.457 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.25 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.202 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . 0.503 ' CD ' ' N ' ' Q' ' 84' ' ' ARG . 0.9 OUTLIER -64.72 -25.48 67.95 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.36 -49.44 27.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.955 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -58.44 -7.17 0.82 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.338 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 15.6 m -91.68 -40.18 11.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.321 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -75.06 -45.36 42.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.74 -24.8 58.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.1 -48.21 8.83 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.914 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.97 -62.98 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.757 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.72 -39.61 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.535 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.92 -32.44 53.53 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.653 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 37.8 t -90.97 -41.54 13.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.669 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.94 -28.75 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.552 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.11 -24.17 64.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -85.35 -9.1 58.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.244 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -70.52 119.09 14.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.8 p -64.98 152.78 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.722 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -32.1 -51.26 0.33 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 123.329 2.686 . . . . 0.0 113.74 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.0 -30.64 69.08 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -78.45 -34.67 47.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.82 -50.42 72.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.17 -46.01 92.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -51.91 -46.81 64.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.929 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . 0.53 ' NZ ' ' O ' ' Q' ' 47' ' ' LEU . 60.9 mttm -57.84 -47.66 82.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.695 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 11.1 mtp -75.36 -38.24 60.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -63.97 -11.48 29.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.95 -33.69 59.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.61 31.74 3.82 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -126.77 -40.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.04 116.64 19.9 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.139 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -43.81 146.8 1.39 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.734 1.622 . . . . 0.0 111.902 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . 0.406 ' CD1' ' OH ' ' Q' ' 60' ' ' TYR . 2.0 mm? -117.61 143.11 46.45 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.462 ' CZ ' ' OH ' ' Q' ' 64' ' ' TYR . 98.6 mtt180 -68.25 178.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.82 16.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -125.1 -21.1 2.14 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -119.66 150.67 39.96 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.302 0.572 . . . . 0.0 110.55 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -122.08 -178.4 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.824 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -68.34 164.32 21.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.076 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mm -86.11 125.96 66.67 Favored Pre-proline 0 CA--C 1.54 0.575 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -39.05 117.71 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.793 1.662 . . . . 0.0 111.577 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -64.03 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.52 -23.95 29.8 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.3 -10.1 58.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.327 0.564 . . . . 0.0 111.806 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.79 3.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.935 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -65.65 -113.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.858 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -62.01 13.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.53 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 20.5 mt -73.26 100.88 3.24 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.019 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 10.3 m-20 -79.37 164.55 23.94 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.415 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.09 -20.95 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.141 -179.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 43.0 t -75.35 -62.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.203 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 -32.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -63.23 -34.76 78.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 26.5 m -74.57 -44.32 51.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.342 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 48.4 t0 -59.36 -36.45 75.77 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.778 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.24 -54.79 35.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.71 -46.81 80.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.096 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -61.77 -36.25 72.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.93 -40.95 71.76 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.792 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -83.15 -37.26 23.95 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 77.2 m-85 -106.76 -7.65 17.14 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.51 154.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 1.4 mp0 -55.43 -36.52 66.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.297 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.12 -52.32 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.462 ' OH ' ' CZ ' ' Q' ' 33' ' ' ARG . 6.0 t80 -76.55 -30.16 56.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.83 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.51 -58.09 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.02 -1.072 . . . . 0.0 108.561 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.87 -45.62 7.59 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.4 -35.41 77.44 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -69.49 -46.56 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.325 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -56.87 -47.47 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.205 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -49.78 -65.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.83 -31.61 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' Q' ' 75' ' ' ASP . 78.6 t -65.67 -52.79 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.286 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -54.15 -38.91 66.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.8 mtt180 -67.16 -17.35 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 9.9 t0 -52.88 -34.13 53.18 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' Q' ' 76' ' ' MET . 2.7 mpp? -85.66 -134.31 0.06 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -132.16 66.82 1.54 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -113.39 51.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.587 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.82 -19.46 65.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.74 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -97.99 -56.19 2.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.43 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -57.5 -54.55 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.591 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.62 -21.64 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.42 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -65.96 -31.19 71.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.895 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' Q' ' 85' ' ' LEU . 4.1 mm? -72.63 -43.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.858 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 13.6 tm0? -64.31 -12.53 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.054 179.801 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -90.59 -33.18 15.97 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.59 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -76.02 -43.84 42.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.2 -38.78 71.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -70.43 -48.8 54.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.102 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.4 92.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.28 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.21 -59.69 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.714 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.16 -39.92 70.06 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.453 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -30.12 61.65 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.986 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.6 t -92.35 -42.97 13.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.33 -25.23 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.661 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -69.79 -24.55 63.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.296 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -85.09 -9.29 58.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.079 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.2 117.27 11.54 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.539 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -63.47 151.67 87.22 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.66 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -31.84 -49.26 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 123.403 2.736 . . . . 0.0 114.214 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -70.06 -29.48 66.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' Q' ' 16' ' ' THR . 48.8 mt-10 -78.06 -36.42 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.57 -49.58 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.829 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.67 -41.84 95.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.208 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -49.97 -57.2 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.147 0.498 . . . . 0.0 110.268 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -56.55 -37.77 70.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.908 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -76.04 -41.38 51.02 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -63.69 -9.7 15.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.255 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -36.61 72.75 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.2 25.67 23.06 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.222 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -121.04 -55.01 2.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.828 0.347 . . . . 0.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' Q' ' 30' ' ' VAL . 7.7 p -61.64 122.62 72.42 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -42.79 147.46 0.62 Allowed 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 122.104 1.869 . . . . 0.0 113.356 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.03 142.98 46.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.558 ' HE ' ' HH ' ' Q' ' 64' ' ' TYR . 2.6 mpt_? -66.21 -175.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -80.84 100.4 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.07 -10.15 0.75 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 157.71 43.27 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.183 0.516 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -133.92 -177.29 4.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 145.03 56.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.84 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mm -81.71 128.98 67.15 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.46 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -36.62 112.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.159 1.906 . . . . 0.0 112.179 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -64.72 -17.94 64.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.776 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.18 -26.2 19.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.316 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.7 -16.24 45.69 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 122.609 -0.348 . . . . 0.0 111.702 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.62 2.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.969 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.07 -120.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -42.9 -1.01 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 90.3 mt -76.41 115.51 16.22 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.041 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 18.7 m-20 -83.05 166.95 18.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.189 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.458 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.62 -17.73 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.355 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.2 t -75.12 -65.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.102 0.477 . . . . 0.0 110.16 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -64.45 -35.72 81.85 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 50.9 m -71.79 -46.07 59.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.99 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 47.3 t0 -57.84 -44.13 86.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.006 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -55.28 -56.47 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.072 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.13 -47.86 72.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.316 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 41.3 t -59.89 -37.38 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.02 -42.94 65.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 30.8 t -79.8 -37.12 35.89 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.541 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 65.8 m-85 -104.14 -3.91 23.83 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.215 -0.303 . . . . 0.0 111.56 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.543 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.57 150.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.17 -38.93 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.433 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.02 -51.08 17.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.558 ' HH ' ' HE ' ' Q' ' 33' ' ' ARG . 7.0 t80 -78.43 -26.7 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.933 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.64 -58.56 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.124 -1.03 . . . . 0.0 108.831 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.87 -43.12 8.57 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.726 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.07 -40.91 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.3 tt -67.65 -50.45 57.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.721 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.09 -49.0 80.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 10.0 t -51.11 -64.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.988 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.21 -29.87 15.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.3 -51.83 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.619 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.35 -40.47 86.53 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.503 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -55.57 -40.63 72.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.29 -28.8 69.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.827 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 32.8 mtt -84.84 23.73 1.15 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.49 33.39 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.556 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.0 mmt -113.89 68.4 0.69 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.16 -38.97 72.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.207 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -64.3 -47.36 79.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.043 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -59.67 -55.35 35.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.207 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.72 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.4 77.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mmt-85 -67.06 -30.2 70.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' Q' ' 87' ' ' ARG . 2.5 mt -69.33 -51.46 36.76 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -54.81 -11.59 0.64 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.705 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' Q' ' 85' ' ' LEU . 40.9 ttt180 . . . . . 0 C--N 1.328 -0.351 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.8 m -89.95 -37.69 14.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -74.71 -45.87 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.62 -30.36 60.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.98 -47.46 20.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.838 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.64 90.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.53 -63.97 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.13 -36.69 61.06 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.808 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -54.47 -38.98 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.513 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -35.95 9.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.872 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.73 -37.93 86.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.978 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -64.03 -21.11 66.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.737 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -85.78 -10.61 55.23 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.29 117.0 13.39 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.536 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 12.4 p -62.99 149.0 91.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.395 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -33.71 -36.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.997 2.465 . . . . 0.0 113.601 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.86 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.681 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' Q' ' 16' ' ' THR . 40.4 mt-10 -74.98 -35.68 62.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.241 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.91 -42.28 97.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -61.92 -51.31 68.67 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.843 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -41.16 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.64 -53.55 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.125 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -56.65 -40.02 74.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.174 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -45.97 50.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.689 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . 0.446 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 31.9 mmtm -65.28 -8.69 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.715 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -28.93 64.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 109.394 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.04 34.16 5.11 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.343 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 45.5 p -121.49 -44.32 2.36 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 t -57.08 136.14 80.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -59.7 150.69 75.27 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.171 1.247 . . . . 0.0 112.026 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.55 122.01 43.44 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.65 175.94 3.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.271 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.28 98.98 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.57 -20.36 1.03 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.91 137.02 48.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.281 0.562 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 16.9 mp0 -99.54 175.57 5.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.718 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.9 -179.72 0.22 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.762 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' Q' ' 40' ' ' PRO . 33.0 mm -106.15 103.43 45.04 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' Q' ' 39' ' ' ILE . 46.7 Cg_exo -39.51 111.79 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.489 1.459 . . . . 0.0 111.364 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -59.99 -27.9 67.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.028 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.85 -22.47 61.47 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.007 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.69 -14.99 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.9 0.35 . . . . 0.0 111.856 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' Q' ' 46' ' ' GLN . 73.7 mt -70.18 -50.61 38.41 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.692 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.05 19.78 3.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 21.8 tp60 -126.92 -41.58 1.8 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.848 0.356 . . . . 0.0 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.86 126.38 31.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' Q' ' 52' ' ' LEU . 2.3 m-20 -81.73 169.86 16.44 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.429 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.44 -24.6 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.45 -179.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 t -74.88 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 109.932 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.55 -29.46 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.9 -36.11 83.31 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 49.4 m -69.95 -45.26 67.82 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.91 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 76.7 m-20 -57.6 -43.17 84.49 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.503 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -56.96 -55.46 34.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.295 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -48.29 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.003 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.48 -37.35 77.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.0 -41.71 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -80.22 -38.62 30.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.728 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.54 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 80.9 m-85 -106.81 -2.88 20.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.33 153.34 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.7 -35.54 70.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.146 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.04 -51.82 14.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.56 -28.35 51.76 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.588 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.94 -58.81 6.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.406 -0.918 . . . . 0.0 108.812 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.67 -44.03 8.77 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.92 -40.75 98.56 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.6 tt -67.31 -49.13 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.586 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.2 t -56.85 -49.63 78.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.578 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.67 -62.45 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.5 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.74 -52.16 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.799 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 42.8 mt -55.89 -43.71 77.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.91 -41.06 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.499 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.41 27.97 0.57 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 59.14 33.76 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.576 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -122.12 67.66 0.93 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.54 -24.23 62.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.982 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -81.35 -48.31 12.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.404 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -58.15 -55.33 36.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.394 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.66 -29.01 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.784 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.52 83.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -65.62 -31.33 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.739 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' Q' ' 85' ' ' LEU . 3.8 mm? -72.84 -48.23 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -56.93 -12.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 179.522 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -91.06 -35.86 14.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -74.2 -45.3 49.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -54.56 -42.59 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.22 -47.69 78.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.071 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.68 94.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.147 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.23 -58.16 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -54.95 -34.44 63.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.647 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -57.77 -39.92 78.58 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.848 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.24 -38.01 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.12 -35.71 77.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.201 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.57 -22.78 66.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.212 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -85.24 -8.91 58.32 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 120.899 0.38 . . . . 0.0 110.217 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.16 119.37 14.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.541 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.2 p -63.86 150.9 90.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.136 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -31.7 -48.58 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 123.212 2.608 . . . . 0.0 114.42 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -71.08 -29.22 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.785 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' Q' ' 16' ' ' THR . 93.8 mt-10 -77.87 -35.3 51.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.13 -50.19 71.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.07 -48.0 83.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.505 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -41.72 90.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.788 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -49.23 -49.79 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.272 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.77 -44.97 74.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.262 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 50.3 mtp -76.23 -41.9 47.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -63.04 -11.12 17.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.928 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mt -72.87 -27.75 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.6 30.96 6.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.96 -46.14 1.98 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -55.75 116.64 12.63 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.557 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -42.67 148.27 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.868 1.712 . . . . 0.0 112.012 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' NH2' ' Q' ' 38' ' ' ARG . 2.4 mm? -124.22 130.43 52.51 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.406 ' H ' ' HD2' ' Q' ' 33' ' ' ARG . 2.3 mpt_? -69.31 -175.36 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.703 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.9 98.84 4.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.29 -21.52 0.29 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.555 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -123.91 149.53 45.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 110.788 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.58 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.67 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' Q' ' 32' ' ' LEU . 4.5 tpm_? -65.14 160.91 20.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.472 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 33.6 mm -87.42 119.55 70.84 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.617 -0.23 . . . . 0.0 110.493 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -40.32 117.68 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.853 1.702 . . . . 0.0 111.956 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -60.67 -22.93 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.294 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -23.59 48.77 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.237 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.546 ' CB ' ' HZ3' ' Q' ' 55' ' ' LYS . . . -85.07 -7.17 59.22 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.894 0.347 . . . . 0.0 111.685 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.82 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.988 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.29 26.88 2.88 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -127.74 -42.6 1.6 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.11 0.481 . . . . 0.0 111.099 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' Q' ' 47' ' ' LEU . 7.0 mp -84.98 137.66 32.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.54 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 3.9 m-20 -82.6 170.12 15.53 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.457 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.87 -20.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.157 -179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 5.1 t -74.69 -64.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.77 -27.59 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -64.83 -36.73 85.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 53.5 m -71.55 -46.98 57.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.229 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 15.1 t70 -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.326 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . 0.546 ' HZ3' ' CB ' ' Q' ' 43' ' ' ALA . 8.7 tptm -57.57 -54.77 43.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.19 -48.46 73.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.28 0.562 . . . . 0.0 110.037 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.86 -37.84 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.083 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.29 -42.55 68.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -81.1 -36.43 30.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.552 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 46.9 m-85 -106.49 -4.72 19.47 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.552 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 79.14 150.0 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 -179.4 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -55.12 -40.48 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.664 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.71 -50.59 20.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.44 -28.79 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.977 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.09 -58.04 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.847 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.68 9.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.674 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.04 -39.69 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.51 -47.94 68.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.407 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.07 -47.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -51.97 -62.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.46 13.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.91 -52.11 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.244 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 38.9 mt -56.4 -44.05 79.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.794 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.4 -39.42 67.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -67.35 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.494 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.1 mmm -83.35 27.3 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 56.88 30.7 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.1 mmt -118.29 68.93 0.78 Allowed 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.4 -44.96 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.603 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.66 -43.79 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 111.294 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.59 -57.54 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.924 0.392 . . . . 0.0 110.964 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.27 -31.03 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.88 87.79 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -65.86 -28.31 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.764 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.81 -45.03 72.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -55.41 -11.11 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.513 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.977 0.417 . . . . 0.0 110.319 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -90.78 -37.29 13.74 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -76.28 -45.59 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -58.01 -25.07 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.49 -48.22 10.53 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.28 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.1 -60.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.781 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.33 -40.97 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.675 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -54.8 -29.55 54.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.51 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -93.37 -42.17 12.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.54 -29.68 70.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.873 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.9 -21.48 64.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . 0.433 ' ND2' ' N ' ' Q' ' 14' ' ' ASN . 2.3 m120 -85.13 -9.83 57.44 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.54 117.91 11.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' Q' ' 19' ' ' GLU . 2.4 p -65.56 150.92 95.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -31.7 -41.58 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 123.22 2.614 . . . . 0.0 113.695 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.89 -55.17 9.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.881 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' Q' ' 19' ' ' GLU . 0.3 OUTLIER -60.27 -27.54 67.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.979 -178.541 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.11 -43.22 99.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -62.89 -51.14 68.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.701 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -49.45 -52.75 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.399 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -55.77 -45.2 78.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.543 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -75.75 -44.28 42.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.046 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 41.1 mmtt -62.52 -10.55 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.865 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.82 -25.75 59.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 32.13 6.09 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.421 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 18.1 p -126.35 -42.35 1.84 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.64 117.07 16.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.82 145.41 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.75 1.634 . . . . 0.0 112.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.35 135.72 53.66 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.547 ' C ' ' H ' ' Q' ' 35' ' ' GLY . 42.7 mtp180 -66.7 173.09 3.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.023 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.07 13.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.526 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -119.31 -13.85 6.17 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 4.4 m-85 -132.62 160.25 37.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.285 0.564 . . . . 0.0 111.143 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -135.67 -177.11 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . 0.676 ' NH1' ' H ' ' Q' ' 41' ' ' ARG . 0.0 OUTLIER -64.09 154.22 35.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.904 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mm -82.13 127.01 73.23 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -38.25 118.52 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.117 1.878 . . . . 0.0 111.744 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . 0.676 ' H ' ' NH1' ' Q' ' 38' ' ' ARG . 31.2 ptt85 -65.0 -27.43 68.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . 0.424 ' O ' ' OE1' ' Q' ' 46' ' ' GLN . . . -82.88 -24.85 51.68 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.429 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.66 -8.98 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.008 0.404 . . . . 0.0 111.737 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.26 -46.43 50.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.289 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.485 ' O ' ' NE2' ' Q' ' 46' ' ' GLN . . . -86.28 24.51 8.14 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' Q' ' 45' ' ' GLY . 5.7 mp0 -127.44 -43.91 1.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.775 0.321 . . . . 0.0 111.252 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 mt -83.45 134.7 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.076 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.81 170.83 14.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.451 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.06 -25.21 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.618 -179.12 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -73.18 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.037 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -70.86 -29.6 65.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.019 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -65.52 -36.21 83.14 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 23.5 m -69.4 -48.69 60.3 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.96 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 11.1 t0 -54.94 -40.47 69.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.007 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -59.15 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.33 -51.54 59.92 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.466 0.651 . . . . 0.0 109.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -62.33 -36.07 72.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.136 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.67 -44.04 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.714 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 39.4 m -80.89 -39.15 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.53 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.9 m-85 -105.29 -4.34 21.73 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.77 151.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.98 -38.09 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.079 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 31.8 t70 -74.67 -51.82 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -78.33 -27.55 47.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.779 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.76 -58.4 8.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.634 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.84 -44.03 9.21 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.68 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' Q' ' 67' ' ' GLU . 0.3 OUTLIER -62.32 -39.77 94.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.234 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.93 -51.15 51.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.616 178.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.8 -48.91 86.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.646 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 t -50.05 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.379 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.34 25.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -70.08 -52.13 33.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.698 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 30.5 mt -56.26 -44.55 79.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.76 -38.13 69.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 0.0 110.01 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.6 -29.09 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 89.9 mmm -85.18 21.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.228 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 62.05 35.27 16.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.881 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.9 mmt -114.8 67.42 0.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' Q' ' 79' ' ' LEU . 9.6 mp -71.28 -31.51 67.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.348 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.52 -48.2 28.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.262 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -58.74 -57.12 14.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.41 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.28 -31.36 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.92 77.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.528 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -66.15 -28.38 68.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.837 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.26 -50.93 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.8 -19.16 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.755 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.397 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -89.59 -31.73 17.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.689 0.281 . . . . 0.0 110.366 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -75.2 -41.29 58.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.64 -48.22 72.53 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.07 -50.3 73.19 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.045 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 47.7 mt -63.17 -59.04 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.89 -39.91 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.927 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.259 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -90.64 -42.08 13.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.86 -25.9 67.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.179 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.7 -24.32 64.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.206 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -81.42 -10.34 59.54 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.52 119.56 14.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.535 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -64.56 151.53 91.63 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -32.75 -49.88 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.974 2.449 . . . . 0.0 112.929 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -69.68 -35.96 75.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.469 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' Q' ' 16' ' ' THR . 21.2 mt-10 -71.7 -29.46 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.42 -43.33 96.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -60.83 -49.81 75.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.171 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' Q' ' 26' ' ' LYS . 16.7 mmtp -59.58 -39.64 84.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.724 -0.791 . . . . 0.0 109.423 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -49.72 -53.83 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 110.692 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 13.4 mtmt -57.18 -47.47 81.16 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.288 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.61 -43.97 45.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.399 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' Q' ' 22' ' ' LYS . 57.2 mmtt -59.73 -8.87 2.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.53 -34.18 73.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.399 0.619 . . . . 0.0 109.513 177.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.37 26.62 3.41 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.517 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 53.5 p -123.75 -44.86 2.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.07 115.68 12.94 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.375 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.45 144.4 1.23 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.879 1.719 . . . . 0.0 112.137 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -118.49 129.39 55.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -69.08 169.23 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.392 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' Q' ' 34' ' ' GLU . 30.6 mp0 -63.32 97.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.21 -34.66 1.0 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -108.02 147.84 30.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.282 0.563 . . . . 0.0 110.127 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -134.07 -177.12 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.729 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.43 160.06 20.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.577 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.84 126.88 76.7 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -38.8 123.87 0.83 Allowed 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.947 1.765 . . . . 0.0 112.054 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -47.86 -26.85 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.736 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.13 -9.99 64.85 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.93 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.21 -17.16 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 111.241 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . 0.523 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 10.9 mt -76.17 -5.44 46.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.542 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -84.01 -124.37 1.09 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.756 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -41.08 -3.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 16.9 mt -81.32 112.89 19.03 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.038 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 68.7 m-20 -82.27 170.48 15.34 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.632 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.452 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.88 -17.36 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.53 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 3.8 t -77.31 -65.0 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -68.34 -33.49 74.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.82 -32.07 73.6 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 17.5 m -75.78 -43.78 44.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 7.2 m-20 -60.5 -44.41 96.02 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . 0.407 ' HZ2' ' CD1' ' Q' ' 47' ' ' LEU . 3.1 tppm? -58.67 -52.64 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.6 -47.24 79.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.01 -33.36 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.05 -45.03 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.091 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -80.21 -35.62 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 88.2 m-85 -105.22 -4.74 21.34 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 74.74 153.76 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.79 -35.9 66.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . 0.428 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 39.9 t0 -75.65 -53.83 7.94 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.64 -28.77 61.96 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.914 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.66 -59.0 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.975 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.05 -41.62 3.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.971 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' Q' ' 67' ' ' GLU . 0.4 OUTLIER -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 20.0 tp -67.83 -48.89 64.94 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.0 -50.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 24.9 t -50.61 -65.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.929 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -30.87 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 70.5 t -67.55 -53.46 31.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.598 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 40.0 mt -55.65 -35.39 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . 0.571 ' O ' ' O ' ' Q' ' 76' ' ' MET . 77.9 mtt180 -64.06 -36.29 83.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' Q' ' 74' ' ' ARG . 9.6 t70 -37.2 -32.08 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.669 0.747 . . . . 0.0 109.328 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 7.7 mmt -86.21 -132.53 0.06 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -137.97 66.04 1.46 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . 0.496 ' SD ' ' OE1' ' Q' ' 81' ' ' GLU . 22.5 mmt -117.78 58.67 0.8 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 113.452 -1.703 . . . . 0.0 109.274 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.95 -14.16 62.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -98.12 -54.34 3.1 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.874 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . 0.496 ' OE1' ' SD ' ' Q' ' 78' ' ' MET . 8.7 mt-10 -57.99 -60.43 3.74 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.91 -23.99 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.353 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.95 -31.37 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.76 -28.94 69.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.2 -48.49 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.577 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -64.36 -25.29 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.376 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 N--CA 1.464 0.231 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.83 -179.507 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m -88.43 -35.51 17.03 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -75.95 -44.05 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -56.96 -21.9 33.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.67 -49.28 7.61 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.625 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.01 83.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.7 -62.15 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.533 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -41.9 70.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.332 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -29.73 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.625 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -93.28 -42.53 13.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.74 -29.0 69.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.578 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -69.16 -24.95 64.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.905 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -83.55 -9.39 58.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.871 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.2 118.32 12.88 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.537 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.3 p -63.78 152.1 87.39 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.62 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -32.3 -48.83 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 123.032 2.488 . . . . 0.0 113.563 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.58 -33.99 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.588 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' Q' ' 16' ' ' THR . 37.1 mt-10 -77.37 -30.55 53.8 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.643 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.94 -50.48 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.763 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -65.58 -39.19 91.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.22 -46.16 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -58.69 -46.36 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.079 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 19.3 mtt -76.92 -45.64 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.686 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -65.12 -12.2 48.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.252 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.26 -36.62 54.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.4 37.31 3.46 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -126.69 -38.43 2.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.591 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.41 135.8 91.69 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.108 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.17 151.16 72.45 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.217 1.278 . . . . 0.0 109.912 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.38 149.06 38.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.392 0.615 . . . . 0.0 110.987 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.531 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 8.0 mpt_? -69.17 -168.81 0.16 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.826 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 66.5 mm-40 17.14 -98.51 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.009 0.818 . . . . 0.0 112.308 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.25 85.92 0.12 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.528 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -99.83 155.09 17.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 6.4 mp0 -88.98 144.48 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 111.109 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.34 -173.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.485 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mm -100.11 103.03 20.13 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -39.41 122.37 0.87 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.713 1.609 . . . . 0.0 111.762 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -57.46 -66.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.641 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.23 -23.02 0.4 Allowed Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.214 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' Q' ' 47' ' ' LEU . . . -85.01 -13.8 49.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.05 0.425 . . . . 0.0 112.088 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 mt -72.0 -5.03 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.835 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.57 -115.51 0.02 OUTLIER Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.724 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -50.83 6.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.584 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.2 mp -79.49 102.98 9.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.39 0.541 . . . . 0.0 111.667 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' Q' ' 48' ' ' ASP . 1.7 m-20 -82.85 172.39 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.463 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -50.26 -19.64 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.081 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.03 -62.35 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.366 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.05 -32.76 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.93 -32.71 74.56 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 4.9 m -74.43 -48.83 25.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.672 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 4.8 m-20 -59.54 -45.5 91.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.694 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -58.56 -39.52 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.56 -54.69 17.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.235 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.9 -32.24 57.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.591 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -50.26 39.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.3 m -79.85 -31.52 40.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.533 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 97.9 m-85 -107.17 -9.04 16.24 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.533 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.6 OUTLIER 82.57 148.3 0.08 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.069 0.461 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.87 -48.52 64.01 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.816 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.47 -49.53 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.531 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 4.6 t80 -76.19 -28.68 57.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.997 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.54 -56.97 14.94 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 118.664 -1.215 . . . . 0.0 108.523 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.08 -44.32 10.23 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.895 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.76 -34.54 74.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.9 OUTLIER -71.28 -49.9 38.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.68 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -50.62 -48.66 26.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.735 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 41.8 t -50.59 -66.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.817 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.94 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' Q' ' 75' ' ' ASP . 85.5 t -65.83 -51.9 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.466 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 48.4 mt -53.75 -37.74 63.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 95.7 mtt180 -68.52 -15.41 63.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' Q' ' 72' ' ' VAL . 18.1 t0 -54.49 -32.9 58.83 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . 0.465 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 8.0 mmt -86.8 -134.48 0.07 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 104.056 -2.572 . . . . 0.0 104.056 174.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . 0.452 ' CZ ' ' O ' ' Q' ' 76' ' ' MET . 12.6 mmp_? -132.46 68.27 1.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 177.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 26.2 mmt -111.11 49.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.471 -1.695 . . . . 0.0 109.611 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.32 -22.56 66.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.354 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -97.32 -55.26 2.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.92 -56.47 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.443 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.81 -20.64 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -36.38 83.21 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -64.5 -30.3 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.264 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' Q' ' 85' ' ' LEU . 4.1 mm? -74.86 -45.0 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.151 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -68.39 -6.99 27.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.117 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -87.13 -38.11 16.75 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -76.27 -43.37 42.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.43 -43.8 75.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.86 -49.64 71.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.076 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.46 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.022 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.77 -58.64 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.688 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.82 -40.78 73.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.456 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -56.62 -30.13 62.92 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.381 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -92.0 -42.53 13.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.33 -26.14 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.07 -25.2 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.568 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -82.46 -9.39 59.45 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.68 116.21 12.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.463 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.45 154.93 86.79 Favored Pre-proline 0 C--N 1.321 -0.671 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.22 -178.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -32.82 -43.19 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 123.716 2.944 . . . . 0.0 114.459 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . 0.537 ' C ' ' HZ3' ' Q' ' 22' ' ' LYS . 19.7 mm-40 -69.62 -43.04 73.52 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.02 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' Q' ' 19' ' ' GLU . 38.8 mp0 -71.14 -31.71 68.06 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.506 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -61.41 -45.85 92.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -63.9 -48.61 75.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . 0.537 ' HZ3' ' C ' ' Q' ' 18' ' ' GLU . 0.0 OUTLIER -63.44 -40.03 96.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.268 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -47.33 -48.2 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -58.1 -40.81 82.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ttt -76.62 -48.01 20.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.897 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.75 -9.88 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.03 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.76 -38.04 58.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.46 28.36 9.18 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.4 m -120.85 -50.18 2.18 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' Q' ' 30' ' ' VAL . 4.0 p -61.41 119.3 45.32 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -38.59 150.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.165 1.91 . . . . 0.0 113.075 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -119.9 134.38 55.26 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.586 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -68.55 165.72 18.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -64.7 103.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.39 -17.44 1.15 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.3 m-85 -127.45 155.0 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -129.75 -177.57 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.853 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.17 168.82 6.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.819 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 14.9 mm -82.53 116.31 63.08 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -38.57 126.45 1.04 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.72 1.613 . . . . 0.0 111.974 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.39 -41.28 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.023 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.47 -18.58 77.11 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.57 -9.44 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.58 3.58 9.21 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.724 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -85.64 -129.0 2.17 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.56 -0.746 . . . . 0.0 113.26 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . 0.668 ' H ' HE21 ' Q' ' 46' ' ' GLN . 3.4 mm-40 -45.86 3.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.56 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.2 mp -74.4 104.99 5.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.867 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 26.4 m-20 -82.68 168.24 17.44 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.44 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.66 -18.67 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.78 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 30.1 t -76.03 -65.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -69.51 -31.9 70.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.762 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 tp -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 15.6 m -72.05 -43.56 64.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 13.3 t70 -59.33 -46.69 87.92 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.748 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -57.91 -46.89 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.21 -51.21 56.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.352 0.596 . . . . 0.0 110.077 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.07 -35.69 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.531 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -44.16 68.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.036 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 71.2 m -79.15 -38.31 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.504 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 92.6 m-85 -103.95 -0.88 28.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.158 -0.339 . . . . 0.0 111.77 -178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 73.52 150.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.72 -42.7 71.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -72.54 -51.12 21.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -78.35 -25.38 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.798 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.45 -57.24 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.568 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.66 12.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.811 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.15 -42.09 98.92 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 4.9 tt -67.96 -51.45 47.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.997 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -56.15 -49.68 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.492 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 t -51.42 -61.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.59 -30.2 29.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.07 -51.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.016 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -56.47 -42.83 78.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -57.26 -40.5 77.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.34 -27.32 67.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.718 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtp -85.29 22.97 1.37 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 60.54 32.89 20.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.239 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.5 mmt -120.58 70.93 0.9 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.61 -42.2 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.89 -48.48 78.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.539 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.2 -56.18 25.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 111.057 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.66 -32.21 67.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.86 81.69 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.8 mmt-85 -66.52 -27.41 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.42 -45.17 69.8 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.55 -17.32 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.118 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 27.8 m -92.9 -37.26 12.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.078 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -76.26 -46.97 25.5 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -56.31 -29.12 60.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.02 -46.58 13.75 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.237 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.34 77.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.007 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.81 -57.18 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.136 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.98 -35.66 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.705 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.58 -40.21 74.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.7 -39.66 13.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.0 -35.27 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.798 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.76 -21.7 66.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.768 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -83.8 -10.22 58.23 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.66 119.59 15.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -63.49 152.12 86.28 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -32.23 -39.97 0.1 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 123.093 2.529 . . . . 0.0 112.64 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.52 -54.67 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.651 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.49 -28.49 69.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.764 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.1 -44.47 97.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -65.02 -50.1 67.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.944 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -61.57 -38.59 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -47.98 -49.42 30.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.533 . . . . 0.0 109.939 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -56.48 -45.33 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.347 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.6 mmt -76.41 -48.76 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.584 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 22.4 mmtp -60.73 -10.97 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -177.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.33 -25.16 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.611 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.13 28.17 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 80.7 p -120.22 -48.11 2.34 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . 0.415 ' H ' ' HG1' ' Q' ' 29' ' ' THR . 41.3 t -53.5 134.56 53.51 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.825 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.71 148.39 71.63 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.543 1.495 . . . . 0.0 111.22 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -113.29 134.51 54.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.331 0.586 . . . . 0.0 110.803 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.713 ' HE ' ' HH ' ' Q' ' 64' ' ' TYR . 2.0 mpt_? -68.46 176.28 2.95 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.645 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 37.2 mt-10 31.5 -95.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.343 0.402 . . . . 0.0 111.452 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' Q' ' 33' ' ' ARG . . . -167.78 88.61 0.1 OUTLIER Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.19 166.06 11.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.163 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.29 140.75 29.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.396 0.617 . . . . 0.0 111.386 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.61 -146.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 38.7 mm -133.02 99.0 15.29 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -37.24 123.02 0.42 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.305 2.003 . . . . 0.0 112.024 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.49 -21.61 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.049 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.19 -27.37 28.31 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.078 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.74 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.661 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.88 -46.13 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.186 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.67 19.99 8.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -127.91 -41.36 1.64 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.528 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.66 124.17 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' Q' ' 52' ' ' LEU . 89.1 m-20 -85.31 173.78 10.08 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.427 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -49.67 -21.09 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.956 179.597 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.63 -65.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.178 0.513 . . . . 0.0 110.02 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -27.73 63.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' Q' ' 48' ' ' ASP . 9.2 tp -65.72 -34.53 78.42 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 34.6 m -72.38 -44.05 63.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.658 177.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -57.55 -45.46 85.09 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.325 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -56.79 -46.43 81.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.2 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.13 -52.01 32.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.436 0.636 . . . . 0.0 110.545 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.81 -36.94 78.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.883 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.02 -43.81 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 111.177 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -78.86 -36.84 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.55 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.1 m-85 -108.43 -1.23 20.04 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.62 152.5 0.13 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.748 -0.595 . . . . 0.0 109.823 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -55.76 -43.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' Q' ' 64' ' ' TYR . 3.2 p30 -74.32 -48.96 24.96 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.713 ' HH ' ' HE ' ' Q' ' 33' ' ' ARG . 1.8 t80 -74.31 -30.13 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -60.84 -57.59 12.01 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.653 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.09 -40.98 7.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.753 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 3.3 tt -66.53 -47.0 74.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.442 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.9 t -59.02 -50.0 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.984 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 48.6 t -50.68 -62.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.104 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.92 -32.1 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.82 -50.14 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.674 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.18 -43.61 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -55.03 -40.23 70.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.224 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.83 -30.71 70.96 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 33.5 mtm -84.59 30.09 0.57 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.046 0.45 . . . . 0.0 110.628 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? 52.76 28.92 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.261 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -110.37 68.85 0.68 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.13 -40.12 75.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.403 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.4 -50.45 69.81 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.15 -56.29 23.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.89 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.05 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.84 -29.18 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tt -70.06 -43.22 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.116 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.93 -13.35 6.17 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.331 -0.202 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -92.09 -39.69 11.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.686 0.279 . . . . 0.0 111.048 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -72.79 -45.52 58.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.33 -35.62 65.37 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.07 -45.64 48.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.993 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.22 94.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.124 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.0 -59.73 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.4 -35.61 63.05 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.574 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . 0.41 ' O ' ' OD1' ' Q' ' 14' ' ' ASN . 5.1 mptt -56.58 -39.6 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 m -87.72 -38.65 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.56 -37.2 82.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.558 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.52 -22.38 66.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' Q' ' 10' ' ' LYS . 2.2 m120 -83.08 -10.83 58.49 Favored 'General case' 0 CA--C 1.513 -0.461 0 C-N-CA 120.521 -0.471 . . . . 0.0 109.758 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.3 mt -71.59 118.0 13.86 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.44 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.1 OUTLIER -66.83 155.01 90.81 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 -178.042 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -30.86 -48.46 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 123.482 2.788 . . . . 0.0 113.846 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -49.17 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' Q' ' 19' ' ' GLU . 20.6 mp0 -67.45 -29.93 69.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.18 -52.65 64.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.73 -48.15 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.524 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -61.95 -38.9 90.23 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.062 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -50.86 -46.44 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.213 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . 0.508 ' CB ' ' NZ ' ' Q' ' 24' ' ' LYS . 5.1 mtmp? -58.96 -49.81 76.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.708 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mtp -69.93 -42.68 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.366 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -66.61 -7.91 23.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.405 0.621 . . . . 0.0 110.04 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 38.47 3.11 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -129.29 -40.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.153 0.501 . . . . 0.0 109.857 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.52 114.81 9.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.356 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -46.86 148.54 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.649 1.566 . . . . 0.0 111.604 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -115.01 144.18 44.01 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.167 0.508 . . . . 0.0 111.007 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 80.1 mtt180 -67.76 -173.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.12 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 0.4 OUTLIER 14.67 -91.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.015 0.822 . . . . 0.0 112.263 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.97 81.82 0.12 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.642 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -97.72 161.4 13.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 7.2 mp0 -88.1 137.47 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.305 0.574 . . . . 0.0 110.662 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . 0.408 ' H ' ' HD3' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -60.8 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.8 111.97 57.67 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -40.13 126.43 1.93 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.03 1.82 . . . . 0.0 112.202 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -47.9 -21.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.39 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.36 -3.5 57.58 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.18 -12.82 42.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.753 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . 0.48 ' C ' ' NZ ' ' Q' ' 24' ' ' LYS . 12.1 mt -77.85 -73.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.43 29.15 3.27 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.353 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -127.57 -40.0 1.8 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.991 0.424 . . . . 0.0 112.071 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.6 131.44 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' Q' ' 48' ' ' ASP . 0.8 OUTLIER -81.23 169.48 17.27 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . 0.43 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -49.42 -22.89 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.979 -179.108 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.22 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.731 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.95 -29.86 69.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.49 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.9 OUTLIER -64.65 -34.99 79.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 44.3 m -73.3 -44.35 59.25 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.003 178.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 51.0 t0 -60.42 -40.45 91.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.318 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.48 -47.52 85.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.1 -50.1 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.584 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.45 -34.06 67.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.568 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.51 -42.89 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -82.67 -36.39 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.567 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.3 m-85 -110.66 -6.01 14.91 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.567 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 80.38 153.18 0.12 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.944 -0.473 . . . . 0.0 109.938 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -54.3 -37.02 64.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.12 -51.81 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -78.16 -30.73 49.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.098 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.73 -60.67 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.168 -1.013 . . . . 0.0 108.999 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.57 -44.45 12.85 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.22 -32.23 72.87 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -70.54 -49.44 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.153 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.83 -41.93 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.681 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t -53.16 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.016 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.45 -30.41 2.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' Q' ' 75' ' ' ASP . 90.3 t -66.13 -52.6 46.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.625 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.15 -40.06 76.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.5 mtt180 -67.43 -15.33 63.62 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.959 178.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 11.1 t70 -55.41 -33.31 63.41 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 41.4 mmm -86.06 -136.42 0.07 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.71 68.25 1.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -120.21 66.59 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.774 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.32 -15.66 61.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.07 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -92.82 -53.59 4.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.102 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.91 -54.54 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.891 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.52 -23.42 10.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.99 88.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -63.56 -31.13 72.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.27 -48.41 65.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.64 -19.17 64.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 121.037 0.446 . . . . 0.0 110.319 -179.717 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -90.42 -35.33 15.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.405 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -74.64 -44.83 48.51 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -55.6 -40.76 72.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.57 -48.6 71.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.93 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.88 91.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.27 -59.42 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.066 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mt -55.93 -40.11 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.15 -31.06 61.04 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.036 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.52 -41.95 13.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.03 -25.18 67.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.697 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.2 -22.89 63.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -84.98 -8.91 58.54 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.25 118.72 12.49 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.515 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 9.2 p -65.96 150.58 96.42 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.906 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -31.86 -49.45 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 123.541 2.827 . . . . 0.0 114.264 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -70.82 -31.16 67.81 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.652 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -77.81 -33.42 52.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . 0.464 ' CD1' ' HZ3' ' Q' ' 24' ' ' LYS . 48.9 tp -61.38 -49.34 77.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -60.93 -51.86 67.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.163 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -63.1 -40.81 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.322 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -50.67 -60.38 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . 0.464 ' HZ3' ' CD1' ' Q' ' 20' ' ' LEU . 41.7 mttp -48.19 -37.8 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.49 -41.21 33.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.957 0.408 . . . . 0.0 110.973 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -63.45 -9.26 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.185 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.14 -26.82 66.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.29 32.63 6.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -120.08 -51.79 2.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.222 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 2.9 t -57.08 127.76 76.51 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.118 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -43.06 147.97 0.62 Allowed 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.936 1.757 . . . . 0.0 112.76 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' Q' ' 30' ' ' VAL . 9.5 mp -123.3 117.02 24.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . 0.517 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 2.0 mpt_? -66.82 -177.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.335 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . 0.524 ' N ' ' OE2' ' Q' ' 34' ' ' GLU . 1.7 mp0 -66.23 127.19 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 -27.28 8.33 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -107.27 138.89 42.63 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 9.7 mp0 -122.28 174.01 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 149.76 46.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.357 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 10.3 mt -83.96 129.17 59.96 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -37.62 116.16 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.171 1.914 . . . . 0.0 112.287 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -17.02 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.4 -27.75 14.57 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.263 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -81.72 -19.01 42.35 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.864 0.332 . . . . 0.0 111.323 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.27 4.21 0.76 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.191 -0.603 . . . . 0.0 109.871 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -66.21 -124.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.829 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -47.55 6.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 91.6 mt -77.17 118.95 20.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 119.095 0.861 . . . . 0.0 110.575 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 15.2 m-20 -81.79 164.56 21.59 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -18.57 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.279 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 7.1 t -75.25 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.25 -31.85 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.948 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.56 -33.71 76.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.36 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 16.8 m -70.72 -47.12 61.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.0 t70 -54.34 -42.2 69.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.094 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -58.32 -42.06 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.825 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -68.42 -54.4 17.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.437 0.637 . . . . 0.0 110.098 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.45 -33.11 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.647 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.89 -48.88 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.947 0.403 . . . . 0.0 111.589 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 46.4 m -78.59 -35.45 45.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.546 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 93.1 m-85 -107.62 -6.29 17.01 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.546 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.73 151.74 0.12 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -54.43 -40.42 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.0 -50.24 24.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . 0.517 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.3 t80 -79.24 -28.35 42.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.544 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.26 -62.24 1.98 Allowed 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.038 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.44 -44.81 8.73 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.4 OUTLIER -67.96 -53.37 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.431 178.721 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 48.2 t -59.64 -48.54 87.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 30.7 t -49.14 -62.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.311 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . 0.428 ' O ' ' OD2' ' Q' ' 75' ' ' ASP . . . -53.89 -28.77 38.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 69.3 t -68.13 -51.48 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.375 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.36 -43.82 88.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.094 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -55.68 -40.03 71.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Q' ' 71' ' ' ALA . 14.0 m-20 -67.03 -27.59 67.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 74.4 mtp -84.52 28.68 0.64 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 56.14 28.42 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.395 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' Q' ' 81' ' ' GLU . 11.6 mmt -116.95 69.07 0.75 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.48 -42.78 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.569 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.59 -49.64 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' Q' ' 81' ' ' GLU . 54.5 mp0 -58.78 -54.4 47.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.134 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.85 -31.7 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.404 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -63.74 -31.05 72.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' Q' ' 87' ' ' ARG . 1.3 tt -69.57 -52.72 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.616 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -8.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.528 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' Q' ' 85' ' ' LEU . 46.8 ttt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.081 0 N-CA-C 112.836 -0.106 . . . . 0.0 112.836 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -87.22 -38.2 16.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 4' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' Q' ' 63' ' ' ASP . 73.3 mttt -75.88 -43.84 43.49 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.38 -32.61 66.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.91 -49.62 28.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.781 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.48 82.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.091 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mt -64.82 -60.02 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.03 -39.87 72.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.415 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -32.05 63.79 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.367 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 79.3 t -90.55 -41.0 13.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.04 -26.82 69.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.158 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.49 -24.07 63.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.656 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -84.34 -8.6 58.95 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.086 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.93 118.55 14.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 41.6 p -64.45 148.03 96.75 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.589 -178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -35.11 -38.54 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.215 0 C-N-CA 122.532 2.154 . . . . 0.0 112.883 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.19 -40.62 64.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.204 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.9 mt-10 -70.57 -29.18 65.55 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.25 -38.11 88.03 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -64.05 -50.87 66.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.296 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -63.98 -40.25 95.97 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.414 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -47.59 -49.42 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.185 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -59.82 -49.25 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.85 -45.88 69.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.186 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -65.63 -8.2 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.144 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -33.94 67.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.643 0.735 . . . . 0.0 109.305 177.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 35.39 4.03 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.941 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -123.81 -42.33 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.56 118.7 33.56 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.837 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -42.9 144.95 1.26 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.894 1.73 . . . . 0.0 112.025 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -119.6 128.05 53.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.78 170.64 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.3 107.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.466 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.17 -37.39 1.77 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.65 147.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.204 0.526 . . . . 0.0 109.645 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -131.2 -176.74 4.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.218 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.29 159.05 13.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.687 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mm -82.29 124.79 77.97 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.197 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -39.96 128.01 2.01 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.29 1.993 . . . . 0.0 112.492 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 41' ' ' ARG . . . . . 0.44 ' CD ' ' N ' ' Q' ' 41' ' ' ARG . 0.9 OUTLIER -71.42 -26.0 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.234 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 -27.35 37.77 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.438 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 43' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -82.19 -13.25 57.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.278 0.539 . . . . 0.0 111.766 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 mt -71.85 0.76 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.759 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 45' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -69.87 -124.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.999 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.25 7.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 47' ' ' LEU . . . . . 0.577 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.4 mp -74.84 113.64 12.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.671 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 48' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 9.2 m-20 -81.75 166.55 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.075 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -17.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.054 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 50' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 14.6 t -75.85 -61.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.878 0.37 . . . . 0.0 110.023 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.71 -31.7 70.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -39.59 94.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 55.3 m -72.41 -45.32 60.25 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.168 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 54' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 14.2 t70 -58.59 -41.26 85.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.202 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -57.27 -56.73 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.66 -46.99 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.88 -35.17 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 58' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.28 -45.72 65.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.718 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 -37.44 29.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 60' ' ' TYR . . . . . 0.539 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 69.2 m-85 -104.63 -6.96 19.99 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.098 0.408 . . . . 0.0 112.074 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 61' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.55 151.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.43 -34.7 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 63' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' Q' ' 4' ' ' LYS . 6.1 m-20 -74.17 -52.11 13.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -78.87 -30.26 44.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.764 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 65' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.3 -59.46 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.701 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 66' ' ' ALA . . . . . 0.487 ' O ' ' CG2' ' Q' ' 70' ' ' VAL . . . -45.33 -45.81 12.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.92 -35.73 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 68' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.3 OUTLIER -70.59 -54.97 9.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.043 178.188 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -58.36 -51.11 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.711 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 70' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' Q' ' 66' ' ' ALA . 70.1 t -49.49 -62.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.395 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.88 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.15 -50.84 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.099 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -57.01 -42.98 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.21 -40.8 82.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Q' ' 75' ' ' ASP . 33.1 t0 -64.24 -29.48 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.255 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 56.4 mtp -84.94 29.48 0.63 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 58.34 35.48 24.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.6 mtt -116.74 64.94 0.71 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 79' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' Q' ' 79' ' ' LEU . 3.6 mm? -69.45 -24.28 63.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.752 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -84.47 -53.76 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.442 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -56.88 -52.85 63.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.522 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.31 -31.73 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.376 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.02 98.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -64.47 -31.04 72.08 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 85' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' Q' ' 87' ' ' ARG . 1.6 tt -70.82 -47.37 59.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.929 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -6.07 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 87' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' Q' ' 85' ' ' LEU . 38.5 ttt85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.452 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . 0.467 ' O ' ' C ' ' Q' ' 2' ' ' GLY . 9.6 tpt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' Q' ' 1' ' ' MET . . . 17.75 101.04 0.0 OUTLIER Glycine 0 N--CA 1.471 1.017 0 O-C-N 124.045 0.84 . . . . 0.0 112.871 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 79.4 m -88.51 -39.36 14.24 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.783 0.325 . . . . 0.0 110.235 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -77.27 -43.12 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.5 -29.06 65.97 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.05 -49.79 12.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.558 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.96 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mt -62.43 -63.23 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.592 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.54 -39.41 70.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -28.65 56.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.224 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.25 -43.03 13.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.433 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.33 -28.4 69.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.179 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.37 -20.46 62.96 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.297 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.15 -9.69 54.61 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.68 117.25 13.02 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.518 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 3.2 p -65.84 150.82 95.99 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.766 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -32.2 -37.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 123.465 2.777 . . . . 0.0 114.179 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -73.78 -36.14 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.778 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' Q' ' 16' ' ' THR . 66.7 mt-10 -77.08 -33.27 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.944 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.32 -46.82 88.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -61.09 -51.02 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.805 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -62.35 -40.33 96.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.148 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -49.4 -51.35 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.098 0.475 . . . . 0.0 110.22 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' Q' ' 47' ' ' LEU . 37.7 mttm -56.13 -50.01 72.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.53 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.83 -44.1 56.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.057 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.95 -11.02 15.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.761 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.58 -26.23 59.8 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.651 -0.82 . . . . 0.0 108.865 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 30.67 7.08 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -123.39 -45.15 2.1 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' Q' ' 32' ' ' LEU . 37.4 t -63.22 115.68 19.59 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.686 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -46.77 146.04 6.07 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.711 1.607 . . . . 0.0 111.833 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' Q' ' 30' ' ' VAL . 4.3 mm? -117.04 153.59 32.42 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.223 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -65.53 166.04 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.566 ' C ' ' H ' ' Q' ' 36' ' ' PHE . 50.8 mm-40 -32.86 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.88 1.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.582 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . 0.566 ' H ' ' C ' ' Q' ' 34' ' ' GLU . 16.2 m-85 -111.69 147.21 36.06 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.575 0.687 . . . . 0.0 109.984 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . 0.428 ' O ' ' OH ' ' Q' ' 60' ' ' TYR . 8.9 mm-40 -137.71 -176.95 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.699 0.761 . . . . 0.0 111.328 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -67.82 171.16 6.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.98 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mm -80.24 122.25 82.64 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.938 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -39.95 146.08 0.26 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 121.841 1.694 . . . . 0.0 111.872 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -57.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.114 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.19 -10.15 9.37 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.499 -0.381 . . . . 0.0 112.832 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.56 -9.58 57.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.288 0.544 . . . . 0.0 111.758 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.31 -67.43 0.76 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.24 32.2 4.49 Favored Glycine 0 N--CA 1.468 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.691 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -126.86 -43.86 1.67 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.576 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.409 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 8.1 mt -82.48 135.54 35.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.788 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' Q' ' 52' ' ' LEU . 3.2 m-20 -82.72 172.14 13.23 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.452 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -49.86 -25.17 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.448 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.08 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.203 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.11 -30.98 70.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.583 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' Q' ' 48' ' ' ASP . 14.2 tp -66.21 -36.19 82.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 21.8 m -72.12 -47.61 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.945 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 18.5 t70 -58.21 -45.2 88.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.035 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -62.75 -39.03 92.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 15.1 mt -70.0 -54.49 12.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.576 0.703 . . . . 0.0 109.353 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' Q' ' 61' ' ' TYR . 53.5 t -63.55 -41.36 92.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.499 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.31 -39.2 78.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.529 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . 0.488 ' HG ' ' N ' ' Q' ' 60' ' ' TYR . 86.6 p -79.88 -36.73 36.16 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.534 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.1 m-85 -109.19 -3.86 16.96 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.551 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.56 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.083 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.99 -35.58 69.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.533 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -74.77 -51.85 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -78.21 -29.5 48.36 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.642 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.36 -59.36 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.794 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.51 -42.09 10.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.718 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.1 -42.97 96.71 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 20.4 tp -66.92 -47.66 71.05 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.307 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.0 -49.93 79.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.405 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 t -50.23 -62.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.14 28.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.71 -51.87 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.855 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 26.5 mt -55.54 -43.33 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -54.48 -38.56 66.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.032 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.65 -31.61 72.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 23.4 mtm -84.89 28.66 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.24 34.61 20.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.219 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mmm -120.01 65.83 0.82 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.65 -49.27 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.206 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -62.72 -44.62 95.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 28.2 mp0 -59.07 -56.21 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.473 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.71 -26.86 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.99 89.44 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -64.25 -28.0 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.84 -44.92 72.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -57.43 -17.74 14.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -87.87 -4.32 58.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.814 0.34 . . . . 0.0 110.165 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.53 48.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.533 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.19 -17.49 58.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 86.1 m -90.92 -29.77 17.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -76.52 -42.89 41.6 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.42 -45.24 76.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.57 -50.63 73.14 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.203 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.34 86.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.277 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.15 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.27 -40.2 67.6 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.353 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -32.13 63.72 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.935 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.46 -42.1 14.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.94 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.666 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.97 -23.5 62.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.241 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . 0.402 ' N ' HD21 ' Q' ' 14' ' ' ASN . 2.7 m120 -86.28 -9.61 56.14 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.102 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.8 114.79 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.471 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.91 156.98 82.15 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.658 -178.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -32.43 -46.97 0.28 Allowed 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.829 3.019 . . . . 0.0 115.05 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' Q' ' 18' ' ' GLU . 26.9 mp0 -70.27 -35.94 74.09 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.508 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 57.6 mp0 -75.43 -32.18 60.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.26 -48.31 80.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -63.18 -46.61 86.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.382 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -67.53 -42.49 82.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -45.98 -53.79 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -57.81 -38.83 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.605 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 8.9 ttm -77.84 -46.99 19.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -62.8 -11.37 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.951 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.98 -33.93 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.24 28.4 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.5 m -125.67 -50.76 1.61 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 110.119 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.26 122.23 68.65 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.599 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -39.34 147.52 0.15 Allowed 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.581 2.188 . . . . 0.0 113.951 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.89 137.94 44.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.456 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 69.6 mtt180 -69.36 -178.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.879 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 24.3 mm-40 25.29 -94.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.74 0.65 . . . . 0.0 111.973 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.74 82.15 0.11 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -100.94 159.48 15.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -96.8 145.89 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.29 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -64.05 164.31 10.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.716 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mm -83.51 125.54 73.6 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.057 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -37.77 116.61 0.21 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.915 1.743 . . . . 0.0 111.773 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.33 -17.15 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.869 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.11 -26.15 13.02 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.301 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.545 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.27 -8.65 59.42 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.971 0.385 . . . . 0.0 111.288 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.34 4.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.425 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -70.97 -127.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.787 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -49.7 7.04 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 65.2 mt -79.74 118.59 21.68 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.459 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.44 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 1.1 m-20 -83.24 169.95 15.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.46 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.35 -16.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.7 t -75.03 -63.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.407 . . . . 0.0 110.402 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.75 -32.01 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.075 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -64.1 -36.3 83.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.539 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 41.7 m -71.61 -44.02 65.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.178 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 9.9 t70 -59.13 -40.69 86.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.745 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -59.21 -57.38 13.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.59 -48.04 82.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.358 0.599 . . . . 0.0 110.208 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 23.9 t -61.69 -34.41 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.87 -46.05 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -81.3 -37.9 27.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.549 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 71.5 m-85 -102.15 -6.97 22.62 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.068 -0.395 . . . . 0.0 111.752 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 80.54 147.77 0.09 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 110.946 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 32.1 mp0 -52.14 -48.55 64.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.35 -47.09 58.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -175.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -81.05 -28.32 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.042 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.87 -57.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 118.943 -1.103 . . . . 0.0 108.626 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.63 -47.6 10.45 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.58 -39.33 80.05 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -68.42 -50.0 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.47 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.62 -49.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.243 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 69.0 t -49.67 -61.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.63 51.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.18 -50.86 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.534 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.32 -41.55 84.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -57.48 -40.8 79.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 109.885 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.87 -27.39 67.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mmm -83.84 22.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.343 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 60.5 32.79 20.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.223 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtp -113.81 64.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.47 -27.09 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.436 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' Q' ' 80' ' ' GLU . 10.4 mp0 -80.43 -50.45 10.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 111.201 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.49 -53.42 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.371 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.59 -34.66 67.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.298 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.13 99.46 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -64.07 -29.03 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.14 -48.04 54.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.082 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -58.18 -9.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.698 0.285 . . . . 0.0 111.48 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 39.6 mtp180 -88.79 3.57 50.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.649 0.261 . . . . 0.0 110.422 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.93 40.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptt? . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.04 93.6 1.82 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 80.1 m -89.81 -39.35 13.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -74.65 -46.88 35.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -56.51 -31.51 64.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -78.24 -47.05 18.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.432 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.45 92.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.33 -62.39 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.623 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.61 -40.14 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.43 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -54.97 -30.87 60.12 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.525 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -91.85 -43.67 14.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.434 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.19 -25.49 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 109.31 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.4 -22.51 63.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.578 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.86 -9.7 58.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.85 116.88 12.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.48 ' H ' ' HG1' ' Q' ' 16' ' ' THR . 1.1 p -66.17 151.81 95.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -31.08 -42.54 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.533 2.822 . . . . 0.0 113.858 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' Q' ' 18' ' ' GLU . 19.5 mp0 -69.85 -55.12 10.63 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.754 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' Q' ' 19' ' ' GLU . 13.3 mp0 -60.24 -27.72 67.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.001 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.26 -42.67 99.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.32 -53.34 54.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.561 -1.199 . . . . 0.0 111.363 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -63.07 -40.76 98.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -49.11 -58.13 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.288 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -51.59 -37.25 49.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.445 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 48.1 mtp -78.86 -39.47 35.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.964 0.411 . . . . 0.0 110.401 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -65.93 -8.75 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.081 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.58 -27.72 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.31 31.25 6.49 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.418 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -121.09 -47.37 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.01 0.433 . . . . 0.0 109.868 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.68 118.43 19.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.46 144.84 1.83 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.661 1.574 . . . . 0.0 111.637 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.53 131.81 56.64 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.533 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 0.1 OUTLIER -69.85 176.22 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.8 99.17 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.53 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.72 -23.74 1.04 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 3.4 m-85 -121.75 154.13 37.34 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -135.08 -176.91 4.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.488 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -62.55 156.88 21.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.616 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mm -82.26 130.08 61.07 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.701 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -40.01 117.58 0.44 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.706 1.604 . . . . 0.0 111.671 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -67.9 -28.05 67.17 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.148 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.93 -27.84 48.45 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.565 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.02 -13.09 56.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.32 0.56 . . . . 0.0 112.01 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 mt -69.3 6.48 1.0 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.917 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -72.2 -126.13 0.08 OUTLIER Glycine 0 CA--C 1.532 1.132 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.047 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -45.55 5.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.547 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 78.8 mt -78.91 118.9 21.36 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.282 0.946 . . . . 0.0 111.032 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 2.1 m-20 -82.1 167.06 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.443 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.462 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.83 -19.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.041 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 61.2 t -74.58 -62.82 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 1.5 m-20 -68.54 -32.84 73.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.084 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.27 -33.99 77.08 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.14 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 23.9 m -72.86 -46.2 54.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 9.9 t70 -56.47 -39.77 73.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.846 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -58.1 -53.38 58.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.3 -49.39 74.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.18 0.514 . . . . 0.0 109.71 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.66 -35.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.33 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.45 -46.07 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 111.081 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 24.3 p -81.76 -36.0 29.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.9 m-85 -107.28 -3.35 19.81 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.296 0.498 . . . . 0.0 112.302 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.9 152.63 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 110.025 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -54.45 -43.75 71.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.56 -49.97 28.77 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.533 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.2 t80 -78.77 -28.87 44.79 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.157 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.84 -58.21 9.37 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.664 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.25 -43.74 10.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.825 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.37 -39.6 91.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 4.5 tt -68.56 -50.81 48.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.82 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.54 -47.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . 0.508 ' CG1' ' HE ' ' Q' ' 74' ' ' ARG . 22.3 t -49.79 -63.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.64 -27.56 17.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 79.6 t -69.49 -52.9 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.639 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 46.3 mt -55.36 -44.1 75.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.79 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . 0.508 ' HE ' ' CG1' ' Q' ' 70' ' ' VAL . 93.3 mtt-85 -57.16 -38.93 74.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.433 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . 0.403 ' O ' ' NE ' ' Q' ' 77' ' ' ARG . 37.6 t70 -65.2 -30.17 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.041 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 43.8 mtm -83.71 26.37 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . 0.652 ' H ' ' HE ' ' Q' ' 77' ' ' ARG . 0.0 OUTLIER 58.42 36.02 25.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.8 mmt -120.19 68.09 0.84 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' Q' ' 79' ' ' LEU . 3.5 mm? -68.96 -21.55 64.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.995 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.4 -47.37 12.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.588 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -58.24 -57.86 11.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.9 -31.1 48.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.265 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.63 93.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.34 -28.33 69.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.08 -46.48 61.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.143 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 8.2 tm0? -57.69 -12.6 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . 0.505 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 74.5 mtp180 -87.36 -0.15 56.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.379 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.32 41.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' Q' ' 1' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.74 -10.88 82.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.4 m -94.03 -35.97 12.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.683 0.278 . . . . 0.0 110.356 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -75.17 -45.36 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -57.89 -25.5 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -49.78 8.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.812 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.53 -62.73 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.687 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.34 -39.42 69.99 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -55.89 -32.31 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.787 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 31.9 t -90.49 -42.04 13.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.222 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.69 -28.11 69.17 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.689 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.23 -21.38 64.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.208 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' Q' ' 14' ' ' ASN . 1.8 m-20 -84.16 -11.62 56.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.87 117.67 13.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.549 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 75.4 p -65.64 147.46 98.69 Favored Pre-proline 0 C--N 1.32 -0.707 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.55 -178.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -33.99 -39.21 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.926 2.417 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' Q' ' 18' ' ' GLU . 20.5 mp0 -73.53 -38.21 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.21 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' Q' ' 16' ' ' THR . 34.4 mt-10 -71.27 -30.65 66.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.168 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.06 -38.73 87.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -63.63 -52.86 58.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.339 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -65.08 -40.88 95.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -47.74 -62.29 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.436 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -54.06 -36.4 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.808 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.1 ttt -74.23 -42.27 60.0 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -65.54 -8.49 20.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.68 -21.39 66.1 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.039 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.79 28.78 10.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 17.2 m -118.13 -50.17 2.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 4.9 t -59.11 121.1 52.97 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.165 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -40.92 147.56 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.007 1.805 . . . . 0.0 112.567 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' Q' ' 30' ' ' VAL . 8.0 mp -116.96 126.61 53.19 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -68.91 168.31 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.61 92.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.677 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.79 -17.46 0.56 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -117.81 147.38 43.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.288 0.566 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -121.34 179.41 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.362 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -67.1 169.64 8.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 23.2 mm -83.59 114.95 56.97 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -37.82 125.36 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.786 1.657 . . . . 0.0 111.797 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -58.44 -41.07 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.253 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.13 -24.8 76.68 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.749 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -82.6 -7.01 59.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.37 6.81 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.318 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -76.35 -121.28 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.819 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -51.16 12.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.577 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 27.8 mt -72.39 97.98 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.15 166.91 20.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.453 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.48 -22.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.457 -179.013 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.44 -60.08 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.214 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.34 -33.23 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.4 -36.52 84.4 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 19.3 m -71.52 -48.1 51.0 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.899 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.7 t70 -57.14 -42.23 80.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.713 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -57.33 -54.65 44.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.954 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.64 -48.75 75.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.48 -35.06 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.42 -44.55 67.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -81.99 -37.48 26.56 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.542 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 84.3 m-85 -106.95 -6.22 17.68 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.73 152.9 0.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 50.5 mp0 -57.46 -35.18 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.58 -52.32 13.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.7 -29.8 45.65 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.776 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.68 -60.5 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.889 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.11 -45.82 11.41 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.21 -38.35 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 2.5 tt -68.15 -48.79 64.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.568 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 93.7 t -56.04 -47.17 80.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.21 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 29.5 t -48.04 -64.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.389 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.76 -29.88 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.86 -54.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.591 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 mt -54.53 -42.08 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -56.55 -38.86 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.336 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.97 -28.88 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.35 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 64.5 mtt -85.64 23.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.194 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 59.07 50.63 7.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.89 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . 0.485 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 16.2 mmt -125.15 65.55 1.13 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.139 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' Q' ' 79' ' ' LEU . 8.1 mp -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.851 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -88.5 -52.08 5.36 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . 0.485 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 10.6 mt-10 -59.21 -57.26 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.967 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.1 -28.75 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.748 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.31 77.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -67.4 -29.11 68.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.824 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' Q' ' 85' ' ' LEU . 4.2 mm? -73.52 -41.02 63.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' Q' ' 86' ' ' GLN . 2.2 tm0? -62.75 -3.86 1.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.872 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' Q' ' 85' ' ' LEU . 35.5 mtm105 -85.25 12.0 8.92 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -81.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.203 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.525 179.818 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.16 23.73 26.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -88.94 -38.38 14.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.371 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.67 -43.15 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.8 -41.57 74.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.7 -48.34 72.33 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.4 mt -61.91 -60.84 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.93 -37.72 71.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -57.53 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.17 -42.12 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.61 -26.28 67.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.941 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -84.62 -8.75 58.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.934 0.397 . . . . 0.0 109.966 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 70.7 mt -71.99 117.35 13.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.524 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.1 p -65.06 150.81 94.84 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -31.05 -41.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.178 0 C-N-CA 123.254 2.636 . . . . 0.0 113.633 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' Q' ' 18' ' ' GLU . 13.1 mp0 -72.03 -40.52 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.602 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.2 mt-10 -76.27 -29.3 57.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.08 -52.39 59.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.44 -47.33 86.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.94 -43.7 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.99 -47.43 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.066 0.46 . . . . 0.0 109.854 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -58.14 -43.67 87.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.27 -43.44 56.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.896 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -61.89 -8.8 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.098 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -31.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.444 0.64 . . . . 0.0 109.363 177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.95 27.23 6.1 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.3 m -117.04 -48.04 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.6 135.55 86.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.811 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -68.16 148.9 75.87 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.596 1.531 . . . . 0.0 111.463 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.79 130.02 56.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.426 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 84.2 mtt-85 -69.27 -172.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.41 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -70.31 124.28 23.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.4 -38.72 2.87 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' Q' ' 36' ' ' PHE . 1.6 m-85 -105.02 150.38 24.99 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.367 0.604 . . . . 0.0 110.688 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -138.4 -176.1 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.541 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.02 157.38 22.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.98 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mm -82.11 128.58 67.43 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.478 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -38.52 113.12 0.14 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.986 1.791 . . . . 0.0 111.831 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -62.14 -24.68 67.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.9 -26.91 33.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.57 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.532 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.57 -10.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.969 0.385 . . . . 0.0 111.822 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 74.1 mt -64.81 1.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.911 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -70.71 -115.34 0.04 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -47.99 2.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.57 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 22.3 mt -72.94 102.41 3.45 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.259 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -80.83 165.89 21.45 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.433 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.83 -20.29 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.925 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.27 -62.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.14 -31.35 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.461 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -38.09 89.82 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 21.4 m -71.59 -44.69 64.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.787 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 28.6 t70 -60.0 -42.31 93.98 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.058 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -58.0 -54.14 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.217 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.57 -48.18 75.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.138 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . 0.4 ' CG1' ' OE2' ' Q' ' 62' ' ' GLU . 40.4 t -62.99 -35.58 72.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.37 -42.58 71.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 27.4 t -82.22 -38.04 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.519 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 81.4 m-85 -106.62 -3.84 20.24 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 75.05 155.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . 0.504 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 36.1 mp0 -56.18 -37.11 69.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.217 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.98 -53.29 9.21 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.426 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 2.9 t80 -75.54 -28.51 59.08 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.827 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.77 -57.37 13.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.786 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.08 -41.9 5.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -63.7 -42.53 97.97 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 12.9 tp -67.94 -52.12 39.73 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.49 -51.21 51.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 t -50.99 -62.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.643 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.63 -30.33 13.21 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.7 -50.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.449 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.98 -43.39 81.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.777 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -55.61 -41.9 74.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.394 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.34 -29.03 70.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.812 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.6 mmm -86.37 32.25 0.64 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.438 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . 0.472 ' CD ' ' N ' ' Q' ' 77' ' ' ARG . 10.4 mpt_? 57.03 39.15 29.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.554 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mtt -120.66 58.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.26 -19.25 63.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -91.62 -47.27 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.958 0.409 . . . . 0.0 111.143 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -60.68 -54.26 47.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -30.31 65.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.5 81.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -66.44 -28.56 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.61 -45.57 68.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -62.07 -7.21 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.247 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 1.8 tpt180 -84.81 -8.79 58.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.055 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.28 47.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.548 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.13 64.44 0.53 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 21.9 m -88.8 -35.78 16.44 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -76.56 -42.84 41.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.04 -35.97 67.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.56 -49.19 50.59 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.57 90.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.116 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.9 -58.87 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.47 -40.9 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.11 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . 0.424 ' O ' ' ND2' ' Q' ' 14' ' ' ASN . 0.4 OUTLIER -55.53 -33.89 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.288 -179.495 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.9 t -90.02 -43.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.72 -26.83 68.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.466 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -70.35 -24.5 62.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' Q' ' 10' ' ' LYS . 3.8 m-80 -84.92 -8.69 58.66 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.007 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.42 119.77 15.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.547 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 7.5 p -63.2 150.38 89.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -31.26 -43.97 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 123.226 2.617 . . . . 0.0 113.288 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.66 -39.55 70.24 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.486 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' Q' ' 16' ' ' THR . 46.6 mt-10 -73.82 -30.53 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.46 -54.0 43.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -63.07 -41.79 99.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -64.26 -41.41 96.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -47.77 -42.11 24.9 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -60.4 -43.34 96.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.55 -48.89 15.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.71 -10.65 28.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.332 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.99 -39.68 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 31.4 4.75 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 79.8 m -117.64 -40.75 3.0 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.88 136.53 93.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.674 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.24 149.24 88.86 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.268 1.312 . . . . 0.0 110.65 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -119.05 135.83 54.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.991 0.424 . . . . 0.0 110.134 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' Q' ' 36' ' ' PHE . 75.7 mtt-85 -68.75 169.61 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.231 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' Q' ' 36' ' ' PHE . 15.0 mm-40 -39.0 -88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.486 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -32.89 -26.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.189 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' Q' ' 34' ' ' GLU . 10.1 m-85 -100.93 133.15 45.85 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.507 0.67 . . . . 0.0 110.447 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.25 -177.63 3.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.792 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -66.93 170.04 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.168 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mm -91.16 117.27 67.76 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -39.67 112.65 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.53 1.486 . . . . 0.0 111.643 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -61.25 -20.78 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.59 -26.84 28.81 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.274 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.436 ' O ' ' CD1' ' Q' ' 47' ' ' LEU . . . -82.64 -8.68 59.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.99 0.395 . . . . 0.0 111.929 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -73.04 1.08 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.588 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.56 -122.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.051 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -50.88 11.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.7 mp -76.9 108.23 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 27.5 m-20 -82.8 169.31 16.26 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.451 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.69 -18.97 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.939 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 57.4 t -76.8 -63.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 109.889 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 0.9 OUTLIER -68.14 -32.94 73.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.549 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.11 -35.15 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 15.5 m -72.58 -45.48 58.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.5 t0 -59.12 -48.03 83.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.024 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -58.78 -40.6 84.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.28 -55.68 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.142 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.32 -34.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.104 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.71 -45.9 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.4 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -81.61 -37.11 28.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' O ' ' O ' ' Q' ' 61' ' ' TYR . 96.4 m-85 -109.59 22.62 15.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.134 -0.354 . . . . 0.0 111.65 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 50.72 153.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.74 0.781 . . . . 0.0 112.181 178.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -52.95 -45.95 67.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.189 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' Q' ' 64' ' ' TYR . 5.4 p-10 -74.02 -50.3 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' Q' ' 63' ' ' ASP . 27.9 t80 -75.49 -26.5 58.21 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.161 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -61.63 -56.2 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.386 -0.926 . . . . 0.0 108.758 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.77 -44.01 6.44 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.833 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.83 -39.87 90.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -66.91 -51.02 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.302 178.725 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.35 -49.94 78.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.494 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -50.16 -64.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.86 -29.13 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 79.4 t -69.19 -50.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.641 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.49 -44.99 81.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.695 -0.402 . . . . 0.0 109.932 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -56.66 -40.72 75.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.294 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.66 -27.12 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.453 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtm -86.53 15.75 5.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.236 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 70.64 40.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.5 mmt -120.76 65.37 0.85 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' Q' ' 79' ' ' LEU . 3.2 mm? -70.41 -20.74 62.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.701 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.63 -50.51 6.03 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' Q' ' 81' ' ' GLU . 55.5 mp0 -58.39 -51.43 69.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.91 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -65.27 -30.71 71.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.836 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.16 -45.7 72.78 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.62 -19.31 37.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 38.9 mtt85 -88.37 -0.03 56.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.204 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.53 46.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.578 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 46.8 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.31 107.78 3.48 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m -90.37 -40.3 12.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.781 0.324 . . . . 0.0 110.423 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -72.29 -45.68 59.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -56.91 -30.62 64.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -79.52 -47.04 16.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.138 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.08 89.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.804 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.42 -61.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.649 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mt -53.3 -40.77 65.02 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.55 -33.76 60.69 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.821 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -91.64 -40.36 12.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.13 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.22 -26.72 67.93 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.403 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.33 -23.58 63.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.16 -10.5 56.63 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.908 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.56 119.34 15.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.544 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.7 p -66.31 151.3 96.07 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -31.81 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 123.211 2.608 . . . . 0.0 113.496 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -70.19 -36.32 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.628 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' Q' ' 16' ' ' THR . 41.9 mt-10 -75.71 -30.07 59.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.87 -55.07 33.64 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.45 -44.34 92.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.1 -38.79 92.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -50.55 -51.3 49.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 110.19 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 23.3 mtmt -57.59 -48.74 78.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.962 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ttt -72.94 -42.09 63.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.239 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 23.1 mmtm -62.21 -9.75 8.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -34.55 68.93 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.404 0.621 . . . . 0.0 109.558 177.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.67 30.59 3.45 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.211 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 54.4 p -129.46 -44.78 1.23 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.365 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.57 114.16 8.83 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.225 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.25 143.48 10.69 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.378 1.385 . . . . 0.0 110.687 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' Q' ' 32' ' ' LEU . 1.9 mm? -103.68 150.27 24.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.233 0.54 . . . . 0.0 111.475 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 56.2 mtt-85 -67.81 -179.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.715 178.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 46.6 mm-40 20.22 -92.17 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.8 0.688 . . . . 0.0 112.107 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.38 86.83 0.1 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.731 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -99.95 158.78 15.57 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -91.02 154.78 19.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.4 0.619 . . . . 0.0 111.043 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -59.69 170.62 1.05 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.357 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 25.5 mm -95.93 117.37 66.39 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 119.451 -0.309 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -40.89 108.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.464 1.443 . . . . 0.0 111.025 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.72 -19.99 63.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.049 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.97 -20.17 40.39 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.29 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.4 ' O ' ' CD1' ' Q' ' 47' ' ' LEU . . . -86.72 -15.44 39.48 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.098 0.449 . . . . 0.0 112.079 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . 0.523 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 60.6 mt -71.61 -8.74 55.95 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.081 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.591 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -57.03 -114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.837 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . 0.516 ' H ' ' CD ' ' Q' ' 46' ' ' GLN . 0.7 OUTLIER -50.67 8.19 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -178.029 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.591 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.0 mp -81.04 111.38 17.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.326 0.512 . . . . 0.0 111.019 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 34.4 m-20 -81.04 166.69 20.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.448 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.91 -18.09 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 97.2 t -76.47 -63.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 3.9 m-20 -69.93 -33.94 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -64.11 -29.3 70.44 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 5.2 m -75.83 -45.23 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 30.8 t70 -59.31 -45.37 91.49 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.6 -51.23 69.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.693 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.54 -48.01 71.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.417 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.92 -36.52 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.214 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.42 -44.22 65.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.395 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.4 p -78.73 -32.26 46.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.538 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 44.5 m-85 -109.35 -6.32 15.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.538 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 78.8 150.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.0 109.937 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.26 -37.52 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.28 -53.76 9.08 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' Q' ' 64' ' ' TYR . 1.8 t80 -73.41 -31.82 64.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.052 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.659 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.47 -43.16 3.54 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -65.26 -40.0 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 21.2 tp -67.62 -44.2 78.58 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.4 t -54.09 -47.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.62 -65.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.46 -32.58 7.99 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' Q' ' 75' ' ' ASP . 63.7 t -65.15 -53.82 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.443 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.43 -37.82 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' Q' ' 76' ' ' MET . 93.2 mtt180 -67.2 -16.79 64.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' Q' ' 72' ' ' VAL . 18.7 t0 -54.04 -34.76 60.85 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . 0.451 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 17.5 mtt -84.78 -133.24 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 174.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -133.75 69.0 1.47 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -112.68 50.55 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.723 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.46 -23.0 66.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.594 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -96.57 -55.89 2.77 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -58.97 -54.9 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.83 -21.44 11.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.691 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.98 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -66.21 -29.02 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.818 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' Q' ' 85' ' ' LEU . 4.2 mm? -73.43 -27.43 61.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.297 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 -23.43 67.25 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -79.88 3.79 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.02 53.59 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.744 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.519 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' Q' ' 1' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' Q' ' 1' ' ' MET . . . 21.81 101.68 0.0 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.004 0.815 . . . . 0.0 112.539 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m -89.61 -42.09 11.59 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.214 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.17 -45.96 45.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -56.19 -27.94 56.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -82.39 -45.93 14.2 Favored 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.815 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.05 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 109.863 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.38 -60.69 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.744 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.47 -39.6 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -30.24 62.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.989 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -92.36 -43.15 13.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.96 -30.1 70.05 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.95 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.27 -20.76 64.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . 0.651 ' N ' HD21 ' Q' ' 14' ' ' ASN . 1.0 OUTLIER -85.94 -9.67 56.49 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.39 119.41 14.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.529 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 11.9 p -62.32 149.24 87.99 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -32.43 -42.42 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 123.197 2.598 . . . . 0.0 113.915 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.21 -31.54 62.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.365 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' Q' ' 16' ' ' THR . 92.0 mt-10 -75.56 -34.65 60.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.498 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.12 -42.73 99.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -61.78 -52.41 64.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.614 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -42.76 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -46.31 -53.89 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.392 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -56.22 -41.67 76.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.258 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 4.3 ttt -73.42 -44.83 57.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . 0.441 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 47.1 mttm -62.43 -8.28 5.85 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.097 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.63 -28.17 65.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.79 29.76 7.64 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.69 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 74.7 p -118.95 -45.43 2.57 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.11 134.47 84.22 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.566 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.58 149.93 68.65 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.566 1.511 . . . . 0.0 111.233 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -118.12 131.68 56.4 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.834 0.349 . . . . 0.0 110.147 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.4 ' H ' ' HD2' ' Q' ' 33' ' ' ARG . 0.2 OUTLIER -70.59 -171.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.394 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -72.22 126.16 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.76 -36.36 3.7 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 0.4 OUTLIER -111.31 151.66 28.13 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.273 0.559 . . . . 0.0 110.161 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -134.94 -176.91 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.241 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . 0.483 ' CD ' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -63.37 157.25 23.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.789 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mm -82.0 129.5 64.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.576 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -37.71 110.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.186 1.924 . . . . 0.0 111.736 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.0 -16.63 52.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.817 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.3 -27.26 15.99 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.073 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.96 -8.55 59.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.87 0.335 . . . . 0.0 111.687 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' Q' ' 46' ' ' GLN . 83.1 mt -69.72 -50.29 45.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.085 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.75 20.64 2.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . 0.522 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 19.5 mt-30 -127.01 -40.93 1.83 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 111.501 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.69 125.83 30.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' Q' ' 52' ' ' LEU . 25.1 m-20 -81.68 173.52 12.25 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.46 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -49.82 -27.83 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.507 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.77 -59.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.004 0.43 . . . . 0.0 110.355 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.87 -29.65 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.5 OUTLIER -65.34 -38.4 90.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.364 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 54.9 m -69.74 -47.0 64.64 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.684 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -58.61 -43.19 89.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.986 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -59.72 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.719 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.1 -51.4 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.31 0.576 . . . . 0.0 109.733 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.91 -37.64 79.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.809 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.83 -43.1 72.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -81.77 -37.16 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.6 m-85 -108.86 -4.03 17.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.563 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.54 152.22 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.028 0.442 . . . . 0.0 110.047 -179.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.72 -38.98 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.434 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.84 -50.16 21.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -81.09 -28.69 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.931 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.13 -58.37 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.631 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.25 -44.1 10.95 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.649 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -61.32 -40.41 94.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 3.5 tt -67.23 -48.87 66.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.99 -47.04 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.198 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.61 -62.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.901 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.74 -49.28 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.539 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.21 -43.56 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -56.61 -39.74 74.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.46 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' SD ' ' CE ' ' Q' ' 26' ' ' LYS . 50.4 mmm -84.77 32.61 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 49.04 29.01 2.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.985 0.421 . . . . 0.0 110.355 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . 0.491 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 13.0 mmt -114.38 68.47 0.7 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 41.0 mt -69.52 -23.02 63.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.87 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -78.05 -47.54 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . 0.491 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 87.0 mt-10 -54.09 -56.58 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.27 -29.27 60.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.457 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.25 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.202 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . 0.503 ' CD ' ' N ' ' Q' ' 84' ' ' ARG . 0.9 OUTLIER -64.72 -25.48 67.95 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.36 -49.44 27.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.955 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . 0.451 ' C ' ' H ' ' Q' ' 88' ' ' ALA . 24.4 tt0 -58.44 -7.17 0.82 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.17 21.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' Q' ' 86' ' ' GLN . . . -160.23 111.09 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.936 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.554 -179.712 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.97 105.26 3.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 15.6 m -91.68 -40.18 11.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.321 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . 0.507 ' HZ3' ' C ' ' Q' ' 89' ' ' ALA . 47.2 mttp -75.06 -45.36 42.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.74 -24.8 58.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.1 -48.21 8.83 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.914 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.97 -62.98 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.757 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.72 -39.61 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.535 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.92 -32.44 53.53 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.653 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 37.8 t -90.97 -41.54 13.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.669 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.94 -28.75 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.552 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.11 -24.17 64.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -85.35 -9.1 58.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.244 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -70.52 119.09 14.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.8 p -64.98 152.78 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.722 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -32.1 -51.26 0.33 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 123.329 2.686 . . . . 0.0 113.74 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.0 -30.64 69.08 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -78.45 -34.67 47.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.82 -50.42 72.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.17 -46.01 92.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -51.91 -46.81 64.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.929 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . 0.53 ' NZ ' ' O ' ' Q' ' 47' ' ' LEU . 60.9 mttm -57.84 -47.66 82.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.695 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 11.1 mtp -75.36 -38.24 60.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -63.97 -11.48 29.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.95 -33.69 59.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.61 31.74 3.82 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -126.77 -40.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.04 116.64 19.9 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.139 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -43.81 146.8 1.39 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.734 1.622 . . . . 0.0 111.902 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . 0.406 ' CD1' ' OH ' ' Q' ' 60' ' ' TYR . 2.0 mm? -117.61 143.11 46.45 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.462 ' CZ ' ' OH ' ' Q' ' 64' ' ' TYR . 98.6 mtt180 -68.25 178.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.82 16.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -125.1 -21.1 2.14 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -119.66 150.67 39.96 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.302 0.572 . . . . 0.0 110.55 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -122.08 -178.4 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.824 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -68.34 164.32 21.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.076 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mm -86.11 125.96 66.67 Favored Pre-proline 0 CA--C 1.54 0.575 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -39.05 117.71 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.793 1.662 . . . . 0.0 111.577 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -64.03 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.52 -23.95 29.8 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.3 -10.1 58.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.327 0.564 . . . . 0.0 111.806 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.79 3.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.935 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -65.65 -113.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.858 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -62.01 13.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.53 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 20.5 mt -73.26 100.88 3.24 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.019 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 10.3 m-20 -79.37 164.55 23.94 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.415 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.09 -20.95 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.141 -179.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 43.0 t -75.35 -62.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.203 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 -32.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -63.23 -34.76 78.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 26.5 m -74.57 -44.32 51.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.342 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 48.4 t0 -59.36 -36.45 75.77 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.778 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.24 -54.79 35.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.71 -46.81 80.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.096 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -61.77 -36.25 72.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.93 -40.95 71.76 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.792 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -83.15 -37.26 23.95 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 77.2 m-85 -106.76 -7.65 17.14 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.51 154.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 1.4 mp0 -55.43 -36.52 66.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.297 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.12 -52.32 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.462 ' OH ' ' CZ ' ' Q' ' 33' ' ' ARG . 6.0 t80 -76.55 -30.16 56.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.83 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.51 -58.09 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.02 -1.072 . . . . 0.0 108.561 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.87 -45.62 7.59 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.4 -35.41 77.44 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -69.49 -46.56 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.325 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -56.87 -47.47 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.205 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -49.78 -65.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.83 -31.61 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' Q' ' 75' ' ' ASP . 78.6 t -65.67 -52.79 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.286 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -54.15 -38.91 66.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.8 mtt180 -67.16 -17.35 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 9.9 t0 -52.88 -34.13 53.18 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' Q' ' 76' ' ' MET . 2.7 mpp? -85.66 -134.31 0.06 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -132.16 66.82 1.54 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -113.39 51.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.587 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.82 -19.46 65.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.74 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -97.99 -56.19 2.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.43 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -57.5 -54.55 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.591 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.62 -21.64 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.42 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -65.96 -31.19 71.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.895 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' Q' ' 85' ' ' LEU . 4.1 mm? -72.63 -43.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.858 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 13.6 tm0? -64.31 -12.53 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -86.01 0.02 54.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.054 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.22 -80.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.526 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.507 ' C ' ' HZ3' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.22 25.05 26.19 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -90.59 -33.18 15.97 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.59 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . 0.413 ' HZ2' ' C ' ' Q' ' 89' ' ' ALA . 33.1 mttm -76.02 -43.84 42.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.2 -38.78 71.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -70.43 -48.8 54.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.102 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.4 92.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.28 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.21 -59.69 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.714 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.16 -39.92 70.06 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.453 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -30.12 61.65 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.986 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.6 t -92.35 -42.97 13.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.33 -25.23 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.661 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -69.79 -24.55 63.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.296 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -85.09 -9.29 58.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.079 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.2 117.27 11.54 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.539 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -63.47 151.67 87.22 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.66 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -31.84 -49.26 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 123.403 2.736 . . . . 0.0 114.214 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -70.06 -29.48 66.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' Q' ' 16' ' ' THR . 48.8 mt-10 -78.06 -36.42 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.57 -49.58 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.829 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.67 -41.84 95.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.208 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -49.97 -57.2 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.147 0.498 . . . . 0.0 110.268 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -56.55 -37.77 70.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.908 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -76.04 -41.38 51.02 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -63.69 -9.7 15.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.255 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -36.61 72.75 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.2 25.67 23.06 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.222 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -121.04 -55.01 2.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.828 0.347 . . . . 0.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' Q' ' 30' ' ' VAL . 7.7 p -61.64 122.62 72.42 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -42.79 147.46 0.62 Allowed 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 122.104 1.869 . . . . 0.0 113.356 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.03 142.98 46.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.558 ' HE ' ' HH ' ' Q' ' 64' ' ' TYR . 2.6 mpt_? -66.21 -175.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -80.84 100.4 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.07 -10.15 0.75 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 157.71 43.27 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.183 0.516 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -133.92 -177.29 4.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 145.03 56.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.84 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mm -81.71 128.98 67.15 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.46 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -36.62 112.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.159 1.906 . . . . 0.0 112.179 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -64.72 -17.94 64.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.776 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.18 -26.2 19.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.316 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.7 -16.24 45.69 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 122.609 -0.348 . . . . 0.0 111.702 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.62 2.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.969 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.07 -120.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -42.9 -1.01 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 90.3 mt -76.41 115.51 16.22 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.041 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 18.7 m-20 -83.05 166.95 18.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.189 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.458 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.62 -17.73 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.355 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.2 t -75.12 -65.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.102 0.477 . . . . 0.0 110.16 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -64.45 -35.72 81.85 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 50.9 m -71.79 -46.07 59.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.99 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 47.3 t0 -57.84 -44.13 86.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.006 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -55.28 -56.47 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.072 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.13 -47.86 72.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.316 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 41.3 t -59.89 -37.38 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.02 -42.94 65.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 30.8 t -79.8 -37.12 35.89 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.541 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 65.8 m-85 -104.14 -3.91 23.83 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.215 -0.303 . . . . 0.0 111.56 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.543 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.57 150.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.17 -38.93 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.433 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.02 -51.08 17.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.558 ' HH ' ' HE ' ' Q' ' 33' ' ' ARG . 7.0 t80 -78.43 -26.7 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.933 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.64 -58.56 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.124 -1.03 . . . . 0.0 108.831 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.87 -43.12 8.57 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.726 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.07 -40.91 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.3 tt -67.65 -50.45 57.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.721 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.09 -49.0 80.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 10.0 t -51.11 -64.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.988 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.21 -29.87 15.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.3 -51.83 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.619 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.35 -40.47 86.53 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.503 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -55.57 -40.63 72.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.29 -28.8 69.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.827 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 32.8 mtt -84.84 23.73 1.15 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.49 33.39 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.556 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.0 mmt -113.89 68.4 0.69 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.16 -38.97 72.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.207 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -64.3 -47.36 79.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.043 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -59.67 -55.35 35.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.207 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.72 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.4 77.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mmt-85 -67.06 -30.2 70.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . 0.405 ' C ' ' H ' ' Q' ' 87' ' ' ARG . 2.5 mt -69.33 -51.46 36.76 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' Q' ' 88' ' ' ALA . 5.5 tm0? -54.81 -11.59 0.64 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.705 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' Q' ' 85' ' ' LEU . 40.9 ttt180 -80.55 21.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' Q' ' 86' ' ' GLN . . . -162.34 109.76 1.32 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.316 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.413 ' C ' ' HZ2' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.46 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . 0.402 ' H2 ' ' H ' ' Q' ' 2' ' ' GLY . 19.7 ptt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . 0.402 ' H ' ' H2 ' ' Q' ' 1' ' ' MET . . . 77.16 115.33 0.16 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.8 m -89.95 -37.69 14.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . 0.46 ' NZ ' ' C ' ' Q' ' 89' ' ' ALA . 41.1 mttp -74.71 -45.87 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.62 -30.36 60.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.98 -47.46 20.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.838 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.64 90.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.53 -63.97 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.13 -36.69 61.06 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.808 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -54.47 -38.98 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.513 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -35.95 9.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.872 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.73 -37.93 86.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.978 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -64.03 -21.11 66.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.737 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -85.78 -10.61 55.23 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.29 117.0 13.39 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.536 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 12.4 p -62.99 149.0 91.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.395 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -33.71 -36.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.997 2.465 . . . . 0.0 113.601 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.86 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.681 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' Q' ' 16' ' ' THR . 40.4 mt-10 -74.98 -35.68 62.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.241 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.91 -42.28 97.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -61.92 -51.31 68.67 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.843 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -41.16 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.64 -53.55 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.125 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -56.65 -40.02 74.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.174 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -45.97 50.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.689 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . 0.446 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 31.9 mmtm -65.28 -8.69 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.715 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -28.93 64.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 109.394 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.04 34.16 5.11 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.343 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 45.5 p -121.49 -44.32 2.36 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 t -57.08 136.14 80.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -59.7 150.69 75.27 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.171 1.247 . . . . 0.0 112.026 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.55 122.01 43.44 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.65 175.94 3.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.271 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.28 98.98 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.57 -20.36 1.03 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.91 137.02 48.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.281 0.562 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 16.9 mp0 -99.54 175.57 5.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.718 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.9 -179.72 0.22 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.762 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' Q' ' 40' ' ' PRO . 33.0 mm -106.15 103.43 45.04 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' Q' ' 39' ' ' ILE . 46.7 Cg_exo -39.51 111.79 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.489 1.459 . . . . 0.0 111.364 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -59.99 -27.9 67.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.028 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.85 -22.47 61.47 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.007 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.69 -14.99 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.9 0.35 . . . . 0.0 111.856 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' Q' ' 46' ' ' GLN . 73.7 mt -70.18 -50.61 38.41 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.692 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.05 19.78 3.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . 0.495 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 21.8 tp60 -126.92 -41.58 1.8 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.848 0.356 . . . . 0.0 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.86 126.38 31.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' Q' ' 52' ' ' LEU . 2.3 m-20 -81.73 169.86 16.44 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.429 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.44 -24.6 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.45 -179.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 t -74.88 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 109.932 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.55 -29.46 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.9 -36.11 83.31 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 49.4 m -69.95 -45.26 67.82 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.91 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 76.7 m-20 -57.6 -43.17 84.49 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.503 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -56.96 -55.46 34.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.295 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -48.29 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.003 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.48 -37.35 77.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.0 -41.71 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -80.22 -38.62 30.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.728 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.54 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 80.9 m-85 -106.81 -2.88 20.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.33 153.34 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.7 -35.54 70.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.146 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.04 -51.82 14.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.56 -28.35 51.76 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.588 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.94 -58.81 6.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.406 -0.918 . . . . 0.0 108.812 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.67 -44.03 8.77 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.92 -40.75 98.56 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.6 tt -67.31 -49.13 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.586 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.2 t -56.85 -49.63 78.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.578 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.67 -62.45 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.5 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.74 -52.16 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.799 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 42.8 mt -55.89 -43.71 77.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.91 -41.06 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.499 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.41 27.97 0.57 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 59.14 33.76 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.576 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -122.12 67.66 0.93 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.54 -24.23 62.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.982 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -81.35 -48.31 12.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.404 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -58.15 -55.33 36.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.394 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.66 -29.01 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.784 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.52 83.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -65.62 -31.33 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.739 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' Q' ' 85' ' ' LEU . 3.8 mm? -72.84 -48.23 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -56.93 -12.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -90.36 8.82 31.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -93.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.46 ' C ' ' NZ ' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' Q' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.33 47.95 0.32 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -91.06 -35.86 14.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -74.2 -45.3 49.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -54.56 -42.59 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.22 -47.69 78.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.071 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.68 94.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.147 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.23 -58.16 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -54.95 -34.44 63.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.647 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -57.77 -39.92 78.58 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.848 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.24 -38.01 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.12 -35.71 77.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.201 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.57 -22.78 66.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.212 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -85.24 -8.91 58.32 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 120.899 0.38 . . . . 0.0 110.217 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.16 119.37 14.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.541 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.2 p -63.86 150.9 90.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.136 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -31.7 -48.58 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 123.212 2.608 . . . . 0.0 114.42 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -71.08 -29.22 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.785 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' Q' ' 16' ' ' THR . 93.8 mt-10 -77.87 -35.3 51.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.13 -50.19 71.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.07 -48.0 83.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.505 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -41.72 90.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.788 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -49.23 -49.79 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.272 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.77 -44.97 74.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.262 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 50.3 mtp -76.23 -41.9 47.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -63.04 -11.12 17.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.928 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mt -72.87 -27.75 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.6 30.96 6.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.96 -46.14 1.98 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 57.8 t -55.75 116.64 12.63 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.557 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -42.67 148.27 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.868 1.712 . . . . 0.0 112.012 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' NH2' ' Q' ' 38' ' ' ARG . 2.4 mm? -124.22 130.43 52.51 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.406 ' H ' ' HD2' ' Q' ' 33' ' ' ARG . 2.3 mpt_? -69.31 -175.36 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.703 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.9 98.84 4.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.29 -21.52 0.29 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.555 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -123.91 149.53 45.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 110.788 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.58 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.67 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' Q' ' 32' ' ' LEU . 4.5 tpm_? -65.14 160.91 20.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.472 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 33.6 mm -87.42 119.55 70.84 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.617 -0.23 . . . . 0.0 110.493 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -40.32 117.68 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.853 1.702 . . . . 0.0 111.956 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -60.67 -22.93 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.294 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -23.59 48.77 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.237 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.546 ' CB ' ' HZ3' ' Q' ' 55' ' ' LYS . . . -85.07 -7.17 59.22 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.894 0.347 . . . . 0.0 111.685 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.82 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.988 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.29 26.88 2.88 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -127.74 -42.6 1.6 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.11 0.481 . . . . 0.0 111.099 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' Q' ' 47' ' ' LEU . 7.0 mp -84.98 137.66 32.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.54 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 3.9 m-20 -82.6 170.12 15.53 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.457 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.87 -20.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.157 -179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 5.1 t -74.69 -64.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.77 -27.59 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -64.83 -36.73 85.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 53.5 m -71.55 -46.98 57.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.229 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 15.1 t70 -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.326 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . 0.546 ' HZ3' ' CB ' ' Q' ' 43' ' ' ALA . 8.7 tptm -57.57 -54.77 43.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.19 -48.46 73.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.28 0.562 . . . . 0.0 110.037 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.86 -37.84 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.083 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.29 -42.55 68.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -81.1 -36.43 30.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.552 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 46.9 m-85 -106.49 -4.72 19.47 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.552 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 79.14 150.0 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 -179.4 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -55.12 -40.48 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.664 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.71 -50.59 20.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.44 -28.79 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.977 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.09 -58.04 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.847 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.68 9.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.674 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.04 -39.69 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.51 -47.94 68.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.407 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -61.07 -47.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -51.97 -62.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.46 13.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -69.91 -52.11 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.244 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 38.9 mt -56.4 -44.05 79.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.794 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.4 -39.42 67.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -67.35 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.494 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.1 mmm -83.35 27.3 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 56.88 30.7 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.1 mmt -118.29 68.93 0.78 Allowed 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.4 -44.96 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.603 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.66 -43.79 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 111.294 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.59 -57.54 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.924 0.392 . . . . 0.0 110.964 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.27 -31.03 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.88 87.79 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -65.86 -28.31 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.764 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.81 -45.03 72.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . 0.41 ' C ' ' H ' ' Q' ' 88' ' ' ALA . 39.3 tt0 -55.41 -11.11 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.513 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -81.11 22.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.977 0.417 . . . . 0.0 110.319 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' Q' ' 86' ' ' GLN . . . -158.34 90.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.527 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 49.5 mtm . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.45 57.84 0.66 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -90.78 -37.29 13.74 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -76.28 -45.59 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -58.01 -25.07 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.49 -48.22 10.53 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.28 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.1 -60.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.781 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.33 -40.97 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.675 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -54.8 -29.55 54.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.51 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -93.37 -42.17 12.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.54 -29.68 70.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.873 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.9 -21.48 64.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . 0.433 ' ND2' ' N ' ' Q' ' 14' ' ' ASN . 2.3 m120 -85.13 -9.83 57.44 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.54 117.91 11.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' Q' ' 19' ' ' GLU . 2.4 p -65.56 150.92 95.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -31.7 -41.58 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 123.22 2.614 . . . . 0.0 113.695 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.89 -55.17 9.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.881 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' Q' ' 19' ' ' GLU . 0.3 OUTLIER -60.27 -27.54 67.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.979 -178.541 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.11 -43.22 99.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -62.89 -51.14 68.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.701 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -49.45 -52.75 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.399 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -55.77 -45.2 78.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.543 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -75.75 -44.28 42.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.046 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 41.1 mmtt -62.52 -10.55 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.865 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.82 -25.75 59.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 32.13 6.09 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.421 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 18.1 p -126.35 -42.35 1.84 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.64 117.07 16.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.82 145.41 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.75 1.634 . . . . 0.0 112.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -117.35 135.72 53.66 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.547 ' C ' ' H ' ' Q' ' 35' ' ' GLY . 42.7 mtp180 -66.7 173.09 3.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.023 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.07 13.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.526 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -119.31 -13.85 6.17 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 4.4 m-85 -132.62 160.25 37.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.285 0.564 . . . . 0.0 111.143 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -135.67 -177.11 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . 0.676 ' NH1' ' H ' ' Q' ' 41' ' ' ARG . 0.0 OUTLIER -64.09 154.22 35.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.904 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 mm -82.13 127.01 73.23 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -38.25 118.52 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.117 1.878 . . . . 0.0 111.744 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . 0.676 ' H ' ' NH1' ' Q' ' 38' ' ' ARG . 31.2 ptt85 -65.0 -27.43 68.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . 0.424 ' O ' ' OE1' ' Q' ' 46' ' ' GLN . . . -82.88 -24.85 51.68 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.429 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.66 -8.98 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.008 0.404 . . . . 0.0 111.737 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.26 -46.43 50.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.289 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.485 ' O ' ' NE2' ' Q' ' 46' ' ' GLN . . . -86.28 24.51 8.14 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' Q' ' 45' ' ' GLY . 5.7 mp0 -127.44 -43.91 1.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.775 0.321 . . . . 0.0 111.252 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 mt -83.45 134.7 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.076 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.81 170.83 14.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.451 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.06 -25.21 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.618 -179.12 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -73.18 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.037 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -70.86 -29.6 65.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.019 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -65.52 -36.21 83.14 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 23.5 m -69.4 -48.69 60.3 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.96 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 11.1 t0 -54.94 -40.47 69.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.007 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -59.15 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.33 -51.54 59.92 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.466 0.651 . . . . 0.0 109.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -62.33 -36.07 72.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.136 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.67 -44.04 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.714 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 39.4 m -80.89 -39.15 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.53 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.9 m-85 -105.29 -4.34 21.73 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.77 151.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.98 -38.09 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.079 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 31.8 t70 -74.67 -51.82 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -78.33 -27.55 47.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.779 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.76 -58.4 8.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.634 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.84 -44.03 9.21 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.68 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' Q' ' 67' ' ' GLU . 0.3 OUTLIER -62.32 -39.77 94.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.234 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.93 -51.15 51.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.616 178.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.8 -48.91 86.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.646 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 t -50.05 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.379 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.34 25.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -70.08 -52.13 33.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.698 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 30.5 mt -56.26 -44.55 79.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.76 -38.13 69.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 0.0 110.01 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.6 -29.09 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 89.9 mmm -85.18 21.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.228 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 62.05 35.27 16.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.881 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.9 mmt -114.8 67.42 0.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' Q' ' 79' ' ' LEU . 9.6 mp -71.28 -31.51 67.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.348 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.52 -48.2 28.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.262 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -58.74 -57.12 14.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.41 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.28 -31.36 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.92 77.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.528 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -66.15 -28.38 68.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.837 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.26 -50.93 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.8 -19.16 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.755 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -87.0 -10.48 53.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.47 55.76 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.182 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.512 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.28 14.45 24.15 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -89.59 -31.73 17.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.689 0.281 . . . . 0.0 110.366 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -75.2 -41.29 58.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.64 -48.22 72.53 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.07 -50.3 73.19 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.045 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 47.7 mt -63.17 -59.04 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.89 -39.91 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.927 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.259 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -90.64 -42.08 13.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.86 -25.9 67.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.179 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.7 -24.32 64.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.206 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -81.42 -10.34 59.54 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.52 119.56 14.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.535 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -64.56 151.53 91.63 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -32.75 -49.88 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.974 2.449 . . . . 0.0 112.929 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -69.68 -35.96 75.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.469 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' Q' ' 16' ' ' THR . 21.2 mt-10 -71.7 -29.46 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.42 -43.33 96.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -60.83 -49.81 75.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.171 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' Q' ' 26' ' ' LYS . 16.7 mmtp -59.58 -39.64 84.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.724 -0.791 . . . . 0.0 109.423 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -49.72 -53.83 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 110.692 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 13.4 mtmt -57.18 -47.47 81.16 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.288 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.61 -43.97 45.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.399 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' Q' ' 22' ' ' LYS . 57.2 mmtt -59.73 -8.87 2.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.53 -34.18 73.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.399 0.619 . . . . 0.0 109.513 177.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.37 26.62 3.41 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.517 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 53.5 p -123.75 -44.86 2.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.07 115.68 12.94 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.375 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.45 144.4 1.23 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.879 1.719 . . . . 0.0 112.137 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -118.49 129.39 55.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -69.08 169.23 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.392 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' Q' ' 34' ' ' GLU . 30.6 mp0 -63.32 97.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.21 -34.66 1.0 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -108.02 147.84 30.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.282 0.563 . . . . 0.0 110.127 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -134.07 -177.12 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.729 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.43 160.06 20.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.577 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.84 126.88 76.7 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -38.8 123.87 0.83 Allowed 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.947 1.765 . . . . 0.0 112.054 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -47.86 -26.85 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.736 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.13 -9.99 64.85 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.93 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.21 -17.16 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 111.241 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . 0.523 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 10.9 mt -76.17 -5.44 46.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.542 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -84.01 -124.37 1.09 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.756 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -41.08 -3.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 16.9 mt -81.32 112.89 19.03 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.038 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 68.7 m-20 -82.27 170.48 15.34 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.632 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.452 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -48.88 -17.36 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.53 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 3.8 t -77.31 -65.0 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -68.34 -33.49 74.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.82 -32.07 73.6 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 17.5 m -75.78 -43.78 44.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 7.2 m-20 -60.5 -44.41 96.02 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . 0.407 ' HZ2' ' CD1' ' Q' ' 47' ' ' LEU . 3.1 tppm? -58.67 -52.64 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.6 -47.24 79.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.01 -33.36 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.05 -45.03 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.091 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -80.21 -35.62 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 88.2 m-85 -105.22 -4.74 21.34 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 74.74 153.76 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.79 -35.9 66.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . 0.428 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 39.9 t0 -75.65 -53.83 7.94 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.64 -28.77 61.96 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.914 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.66 -59.0 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.975 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.05 -41.62 3.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.971 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' Q' ' 67' ' ' GLU . 0.4 OUTLIER -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 20.0 tp -67.83 -48.89 64.94 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.0 -50.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 24.9 t -50.61 -65.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.929 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -30.87 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 70.5 t -67.55 -53.46 31.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.598 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 40.0 mt -55.65 -35.39 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . 0.571 ' O ' ' O ' ' Q' ' 76' ' ' MET . 77.9 mtt180 -64.06 -36.29 83.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' Q' ' 74' ' ' ARG . 9.6 t70 -37.2 -32.08 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.669 0.747 . . . . 0.0 109.328 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 7.7 mmt -86.21 -132.53 0.06 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -137.97 66.04 1.46 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . 0.496 ' SD ' ' OE1' ' Q' ' 81' ' ' GLU . 22.5 mmt -117.78 58.67 0.8 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 113.452 -1.703 . . . . 0.0 109.274 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.95 -14.16 62.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -98.12 -54.34 3.1 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.874 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . 0.496 ' OE1' ' SD ' ' Q' ' 78' ' ' MET . 8.7 mt-10 -57.99 -60.43 3.74 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.91 -23.99 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.353 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.95 -31.37 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.76 -28.94 69.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.2 -48.49 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.577 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -64.36 -25.29 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.376 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -86.08 -3.74 59.01 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.83 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.84 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.511 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . 0.415 ' O ' ' O ' ' Q' ' 2' ' ' GLY . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' Q' ' 1' ' ' MET . . . 58.2 120.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m -88.43 -35.51 17.03 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -75.95 -44.05 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -56.96 -21.9 33.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.67 -49.28 7.61 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.625 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.01 83.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.7 -62.15 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.533 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -41.9 70.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.332 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -29.73 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.625 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -93.28 -42.53 13.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.74 -29.0 69.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.578 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -69.16 -24.95 64.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.905 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -83.55 -9.39 58.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.871 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.2 118.32 12.88 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.537 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.3 p -63.78 152.1 87.39 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.62 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -32.3 -48.83 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 123.032 2.488 . . . . 0.0 113.563 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.58 -33.99 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.588 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' Q' ' 16' ' ' THR . 37.1 mt-10 -77.37 -30.55 53.8 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.643 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.94 -50.48 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.763 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -65.58 -39.19 91.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.22 -46.16 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -58.69 -46.36 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.079 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 19.3 mtt -76.92 -45.64 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.686 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -65.12 -12.2 48.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.252 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 tp -77.26 -36.62 54.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.4 37.31 3.46 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -126.69 -38.43 2.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.591 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.41 135.8 91.69 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.108 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.17 151.16 72.45 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.217 1.278 . . . . 0.0 109.912 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.38 149.06 38.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.392 0.615 . . . . 0.0 110.987 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.531 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 8.0 mpt_? -69.17 -168.81 0.16 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.826 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 66.5 mm-40 17.14 -98.51 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.009 0.818 . . . . 0.0 112.308 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.25 85.92 0.12 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.528 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -99.83 155.09 17.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 6.4 mp0 -88.98 144.48 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 111.109 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.34 -173.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.485 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mm -100.11 103.03 20.13 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -39.41 122.37 0.87 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.713 1.609 . . . . 0.0 111.762 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -57.46 -66.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.641 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.23 -23.02 0.4 Allowed Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.214 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' Q' ' 47' ' ' LEU . . . -85.01 -13.8 49.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.05 0.425 . . . . 0.0 112.088 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 mt -72.0 -5.03 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.835 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.57 -115.51 0.02 OUTLIER Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.724 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -50.83 6.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.584 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.2 mp -79.49 102.98 9.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.39 0.541 . . . . 0.0 111.667 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' Q' ' 48' ' ' ASP . 1.7 m-20 -82.85 172.39 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.463 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -50.26 -19.64 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.081 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.03 -62.35 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.366 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.05 -32.76 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.93 -32.71 74.56 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 4.9 m -74.43 -48.83 25.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.672 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 4.8 m-20 -59.54 -45.5 91.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.694 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -58.56 -39.52 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.56 -54.69 17.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.235 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.9 -32.24 57.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.591 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -50.26 39.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.3 m -79.85 -31.52 40.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.533 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 97.9 m-85 -107.17 -9.04 16.24 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.533 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.6 OUTLIER 82.57 148.3 0.08 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.069 0.461 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.87 -48.52 64.01 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.816 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.47 -49.53 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.531 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 4.6 t80 -76.19 -28.68 57.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.997 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.54 -56.97 14.94 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 118.664 -1.215 . . . . 0.0 108.523 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.08 -44.32 10.23 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.895 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.76 -34.54 74.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.9 OUTLIER -71.28 -49.9 38.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.68 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -50.62 -48.66 26.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.735 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 41.8 t -50.59 -66.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.817 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.94 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' Q' ' 75' ' ' ASP . 85.5 t -65.83 -51.9 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.466 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 48.4 mt -53.75 -37.74 63.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 95.7 mtt180 -68.52 -15.41 63.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' Q' ' 72' ' ' VAL . 18.1 t0 -54.49 -32.9 58.83 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . 0.465 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 8.0 mmt -86.8 -134.48 0.07 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 104.056 -2.572 . . . . 0.0 104.056 174.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . 0.452 ' CZ ' ' O ' ' Q' ' 76' ' ' MET . 12.6 mmp_? -132.46 68.27 1.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 177.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 26.2 mmt -111.11 49.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.471 -1.695 . . . . 0.0 109.611 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.32 -22.56 66.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.354 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -97.32 -55.26 2.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.92 -56.47 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.443 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.81 -20.64 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -36.38 83.21 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -64.5 -30.3 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.264 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' Q' ' 85' ' ' LEU . 4.1 mm? -74.86 -45.0 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.151 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -68.39 -6.99 27.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -84.97 2.43 42.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.117 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -78.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.617 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.463 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.73 52.76 0.79 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -87.13 -38.11 16.75 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -76.27 -43.37 42.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.43 -43.8 75.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.86 -49.64 71.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.076 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.46 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.022 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.77 -58.64 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.688 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.82 -40.78 73.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.456 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -56.62 -30.13 62.92 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.381 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -92.0 -42.53 13.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.33 -26.14 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.07 -25.2 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.568 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -82.46 -9.39 59.45 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.68 116.21 12.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.463 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.45 154.93 86.79 Favored Pre-proline 0 C--N 1.321 -0.671 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.22 -178.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -32.82 -43.19 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 123.716 2.944 . . . . 0.0 114.459 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . 0.537 ' C ' ' HZ3' ' Q' ' 22' ' ' LYS . 19.7 mm-40 -69.62 -43.04 73.52 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.02 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' Q' ' 19' ' ' GLU . 38.8 mp0 -71.14 -31.71 68.06 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.506 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -61.41 -45.85 92.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -63.9 -48.61 75.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . 0.537 ' HZ3' ' C ' ' Q' ' 18' ' ' GLU . 0.0 OUTLIER -63.44 -40.03 96.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.268 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -47.33 -48.2 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -58.1 -40.81 82.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ttt -76.62 -48.01 20.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.897 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.75 -9.88 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.03 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.76 -38.04 58.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.46 28.36 9.18 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.4 m -120.85 -50.18 2.18 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' Q' ' 30' ' ' VAL . 4.0 p -61.41 119.3 45.32 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -38.59 150.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.165 1.91 . . . . 0.0 113.075 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -119.9 134.38 55.26 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.586 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -68.55 165.72 18.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -64.7 103.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.39 -17.44 1.15 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.3 m-85 -127.45 155.0 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -129.75 -177.57 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.853 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.17 168.82 6.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.819 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 14.9 mm -82.53 116.31 63.08 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -38.57 126.45 1.04 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.72 1.613 . . . . 0.0 111.974 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.39 -41.28 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.023 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.47 -18.58 77.11 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.57 -9.44 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.58 3.58 9.21 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.724 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -85.64 -129.0 2.17 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.56 -0.746 . . . . 0.0 113.26 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . 0.668 ' H ' HE21 ' Q' ' 46' ' ' GLN . 3.4 mm-40 -45.86 3.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.56 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.2 mp -74.4 104.99 5.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.867 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 26.4 m-20 -82.68 168.24 17.44 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.44 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -47.66 -18.67 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.78 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 30.1 t -76.03 -65.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -69.51 -31.9 70.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.762 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 tp -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 15.6 m -72.05 -43.56 64.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 13.3 t70 -59.33 -46.69 87.92 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.748 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -57.91 -46.89 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.21 -51.21 56.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.352 0.596 . . . . 0.0 110.077 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.07 -35.69 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.531 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -44.16 68.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.036 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 71.2 m -79.15 -38.31 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.504 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 92.6 m-85 -103.95 -0.88 28.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.158 -0.339 . . . . 0.0 111.77 -178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 73.52 150.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.72 -42.7 71.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -72.54 -51.12 21.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -78.35 -25.38 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.798 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.45 -57.24 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.568 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.66 12.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.811 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.15 -42.09 98.92 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 4.9 tt -67.96 -51.45 47.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.997 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -56.15 -49.68 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.492 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 t -51.42 -61.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.59 -30.2 29.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 91.2 t -68.07 -51.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.016 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -56.47 -42.83 78.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -57.26 -40.5 77.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.34 -27.32 67.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.718 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtp -85.29 22.97 1.37 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 60.54 32.89 20.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.239 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.5 mmt -120.58 70.93 0.9 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.61 -42.2 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.89 -48.48 78.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.539 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.2 -56.18 25.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 111.057 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.66 -32.21 67.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.86 81.69 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.8 mmt-85 -66.52 -27.41 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.42 -45.17 69.8 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.55 -17.32 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.118 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -86.01 9.82 15.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.53 -88.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.451 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.572 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.72 52.96 0.88 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 27.8 m -92.9 -37.26 12.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.078 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -76.26 -46.97 25.5 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -56.31 -29.12 60.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.02 -46.58 13.75 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.237 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.34 77.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.007 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.81 -57.18 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.136 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.98 -35.66 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.705 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.58 -40.21 74.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.7 -39.66 13.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.0 -35.27 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.798 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.76 -21.7 66.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.768 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -83.8 -10.22 58.23 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.66 119.59 15.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -63.49 152.12 86.28 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -32.23 -39.97 0.1 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 123.093 2.529 . . . . 0.0 112.64 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.52 -54.67 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.651 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.49 -28.49 69.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.764 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.1 -44.47 97.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -65.02 -50.1 67.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.944 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -61.57 -38.59 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -47.98 -49.42 30.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.533 . . . . 0.0 109.939 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -56.48 -45.33 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.347 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.6 mmt -76.41 -48.76 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.584 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 22.4 mmtp -60.73 -10.97 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -177.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.33 -25.16 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.611 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.13 28.17 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 80.7 p -120.22 -48.11 2.34 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . 0.415 ' H ' ' HG1' ' Q' ' 29' ' ' THR . 41.3 t -53.5 134.56 53.51 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.825 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.71 148.39 71.63 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.543 1.495 . . . . 0.0 111.22 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -113.29 134.51 54.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.331 0.586 . . . . 0.0 110.803 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.713 ' HE ' ' HH ' ' Q' ' 64' ' ' TYR . 2.0 mpt_? -68.46 176.28 2.95 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.645 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 37.2 mt-10 31.5 -95.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.343 0.402 . . . . 0.0 111.452 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' Q' ' 33' ' ' ARG . . . -167.78 88.61 0.1 OUTLIER Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.19 166.06 11.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.163 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.29 140.75 29.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.396 0.617 . . . . 0.0 111.386 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.61 -146.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 38.7 mm -133.02 99.0 15.29 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -37.24 123.02 0.42 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.305 2.003 . . . . 0.0 112.024 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.49 -21.61 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.049 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.19 -27.37 28.31 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.078 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.74 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.661 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.88 -46.13 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.186 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.67 19.99 8.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -127.91 -41.36 1.64 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.528 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.66 124.17 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' Q' ' 52' ' ' LEU . 89.1 m-20 -85.31 173.78 10.08 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.427 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -49.67 -21.09 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.956 179.597 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.63 -65.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.178 0.513 . . . . 0.0 110.02 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -27.73 63.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' Q' ' 48' ' ' ASP . 9.2 tp -65.72 -34.53 78.42 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 34.6 m -72.38 -44.05 63.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.658 177.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -57.55 -45.46 85.09 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.325 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -56.79 -46.43 81.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.2 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.13 -52.01 32.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.436 0.636 . . . . 0.0 110.545 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.81 -36.94 78.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.883 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.02 -43.81 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 111.177 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -78.86 -36.84 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.55 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.1 m-85 -108.43 -1.23 20.04 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.62 152.5 0.13 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.748 -0.595 . . . . 0.0 109.823 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -55.76 -43.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' Q' ' 64' ' ' TYR . 3.2 p30 -74.32 -48.96 24.96 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.713 ' HH ' ' HE ' ' Q' ' 33' ' ' ARG . 1.8 t80 -74.31 -30.13 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -60.84 -57.59 12.01 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.653 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.09 -40.98 7.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.753 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 3.3 tt -66.53 -47.0 74.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.442 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.9 t -59.02 -50.0 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.984 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 48.6 t -50.68 -62.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.104 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.92 -32.1 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.82 -50.14 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.674 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.18 -43.61 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -55.03 -40.23 70.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.224 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.83 -30.71 70.96 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 33.5 mtm -84.59 30.09 0.57 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.046 0.45 . . . . 0.0 110.628 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? 52.76 28.92 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.261 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -110.37 68.85 0.68 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.13 -40.12 75.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.403 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.4 -50.45 69.81 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.15 -56.29 23.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.89 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.05 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.84 -29.18 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tt -70.06 -43.22 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.116 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.93 -13.35 6.17 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -85.21 12.26 8.33 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.44 -82.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.646 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.356 179.715 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . 0.498 ' N ' ' SD ' ' Q' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.6 63.63 3.85 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -92.09 -39.69 11.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.686 0.279 . . . . 0.0 111.048 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -72.79 -45.52 58.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.33 -35.62 65.37 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.07 -45.64 48.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.993 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.22 94.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.124 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.0 -59.73 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.4 -35.61 63.05 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.574 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . 0.41 ' O ' ' OD1' ' Q' ' 14' ' ' ASN . 5.1 mptt -56.58 -39.6 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 m -87.72 -38.65 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.56 -37.2 82.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.558 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.52 -22.38 66.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' Q' ' 10' ' ' LYS . 2.2 m120 -83.08 -10.83 58.49 Favored 'General case' 0 CA--C 1.513 -0.461 0 C-N-CA 120.521 -0.471 . . . . 0.0 109.758 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.3 mt -71.59 118.0 13.86 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.44 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.1 OUTLIER -66.83 155.01 90.81 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 -178.042 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -30.86 -48.46 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 123.482 2.788 . . . . 0.0 113.846 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -49.17 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' Q' ' 19' ' ' GLU . 20.6 mp0 -67.45 -29.93 69.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.18 -52.65 64.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.73 -48.15 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.524 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -61.95 -38.9 90.23 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.062 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -50.86 -46.44 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.213 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . 0.508 ' CB ' ' NZ ' ' Q' ' 24' ' ' LYS . 5.1 mtmp? -58.96 -49.81 76.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.708 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mtp -69.93 -42.68 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.366 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -66.61 -7.91 23.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.405 0.621 . . . . 0.0 110.04 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 38.47 3.11 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -129.29 -40.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.153 0.501 . . . . 0.0 109.857 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.52 114.81 9.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.356 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -46.86 148.54 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.649 1.566 . . . . 0.0 111.604 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -115.01 144.18 44.01 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.167 0.508 . . . . 0.0 111.007 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 80.1 mtt180 -67.76 -173.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.12 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 0.4 OUTLIER 14.67 -91.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.015 0.822 . . . . 0.0 112.263 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.97 81.82 0.12 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.642 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -97.72 161.4 13.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 7.2 mp0 -88.1 137.47 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.305 0.574 . . . . 0.0 110.662 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . 0.408 ' H ' ' HD3' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -60.8 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.8 111.97 57.67 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -40.13 126.43 1.93 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.03 1.82 . . . . 0.0 112.202 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -47.9 -21.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.39 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.36 -3.5 57.58 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.18 -12.82 42.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.753 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . 0.48 ' C ' ' NZ ' ' Q' ' 24' ' ' LYS . 12.1 mt -77.85 -73.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.43 29.15 3.27 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.353 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -127.57 -40.0 1.8 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.991 0.424 . . . . 0.0 112.071 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.6 131.44 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' Q' ' 48' ' ' ASP . 0.8 OUTLIER -81.23 169.48 17.27 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . 0.43 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -49.42 -22.89 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.979 -179.108 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.22 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.731 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.95 -29.86 69.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.49 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.9 OUTLIER -64.65 -34.99 79.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 44.3 m -73.3 -44.35 59.25 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.003 178.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 51.0 t0 -60.42 -40.45 91.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.318 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.48 -47.52 85.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.1 -50.1 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.584 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.45 -34.06 67.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.568 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.51 -42.89 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -82.67 -36.39 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.567 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.3 m-85 -110.66 -6.01 14.91 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.567 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 80.38 153.18 0.12 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.944 -0.473 . . . . 0.0 109.938 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -54.3 -37.02 64.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.12 -51.81 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -78.16 -30.73 49.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.098 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.73 -60.67 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.168 -1.013 . . . . 0.0 108.999 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.57 -44.45 12.85 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.22 -32.23 72.87 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -70.54 -49.44 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.153 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.83 -41.93 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.681 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t -53.16 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.016 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.45 -30.41 2.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' Q' ' 75' ' ' ASP . 90.3 t -66.13 -52.6 46.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.625 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.15 -40.06 76.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.5 mtt180 -67.43 -15.33 63.62 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.959 178.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 11.1 t70 -55.41 -33.31 63.41 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 41.4 mmm -86.06 -136.42 0.07 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.71 68.25 1.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -120.21 66.59 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.774 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.32 -15.66 61.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.07 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -92.82 -53.59 4.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.102 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.91 -54.54 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.891 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.52 -23.42 10.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.99 88.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -63.56 -31.13 72.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.27 -48.41 65.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.64 -19.17 64.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -86.29 -7.72 58.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.037 0.446 . . . . 0.0 110.319 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.14 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.798 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.527 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tpt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.35 58.16 0.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -90.42 -35.33 15.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.405 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -74.64 -44.83 48.51 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -55.6 -40.76 72.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.57 -48.6 71.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.93 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.88 91.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.27 -59.42 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.066 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mt -55.93 -40.11 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.15 -31.06 61.04 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.036 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.52 -41.95 13.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.03 -25.18 67.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.697 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.2 -22.89 63.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -84.98 -8.91 58.54 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.25 118.72 12.49 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.515 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 9.2 p -65.96 150.58 96.42 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.906 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -31.86 -49.45 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 123.541 2.827 . . . . 0.0 114.264 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -70.82 -31.16 67.81 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.652 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -77.81 -33.42 52.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . 0.464 ' CD1' ' HZ3' ' Q' ' 24' ' ' LYS . 48.9 tp -61.38 -49.34 77.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -60.93 -51.86 67.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.163 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -63.1 -40.81 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.322 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -50.67 -60.38 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . 0.464 ' HZ3' ' CD1' ' Q' ' 20' ' ' LEU . 41.7 mttp -48.19 -37.8 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.49 -41.21 33.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.957 0.408 . . . . 0.0 110.973 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -63.45 -9.26 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.185 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.14 -26.82 66.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.29 32.63 6.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -120.08 -51.79 2.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.222 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 2.9 t -57.08 127.76 76.51 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.118 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -43.06 147.97 0.62 Allowed 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.936 1.757 . . . . 0.0 112.76 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' Q' ' 30' ' ' VAL . 9.5 mp -123.3 117.02 24.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . 0.517 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 2.0 mpt_? -66.82 -177.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.335 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . 0.524 ' N ' ' OE2' ' Q' ' 34' ' ' GLU . 1.7 mp0 -66.23 127.19 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 -27.28 8.33 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -107.27 138.89 42.63 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 9.7 mp0 -122.28 174.01 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 149.76 46.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.357 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 10.3 mt -83.96 129.17 59.96 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -37.62 116.16 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.171 1.914 . . . . 0.0 112.287 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -17.02 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.4 -27.75 14.57 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.263 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -81.72 -19.01 42.35 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.864 0.332 . . . . 0.0 111.323 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.27 4.21 0.76 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.191 -0.603 . . . . 0.0 109.871 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -66.21 -124.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.829 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -47.55 6.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 91.6 mt -77.17 118.95 20.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 119.095 0.861 . . . . 0.0 110.575 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 15.2 m-20 -81.79 164.56 21.59 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -18.57 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.279 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 7.1 t -75.25 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.25 -31.85 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.948 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.56 -33.71 76.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.36 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 16.8 m -70.72 -47.12 61.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.0 t70 -54.34 -42.2 69.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.094 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -58.32 -42.06 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.825 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -68.42 -54.4 17.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.437 0.637 . . . . 0.0 110.098 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.45 -33.11 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.647 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.89 -48.88 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.947 0.403 . . . . 0.0 111.589 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 46.4 m -78.59 -35.45 45.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.546 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 93.1 m-85 -107.62 -6.29 17.01 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.546 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.73 151.74 0.12 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -54.43 -40.42 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.0 -50.24 24.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . 0.517 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.3 t80 -79.24 -28.35 42.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.544 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.26 -62.24 1.98 Allowed 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.038 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.44 -44.81 8.73 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.4 OUTLIER -67.96 -53.37 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.431 178.721 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 48.2 t -59.64 -48.54 87.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 30.7 t -49.14 -62.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.311 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . 0.428 ' O ' ' OD2' ' Q' ' 75' ' ' ASP . . . -53.89 -28.77 38.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 69.3 t -68.13 -51.48 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.375 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.36 -43.82 88.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.094 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -55.68 -40.03 71.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Q' ' 71' ' ' ALA . 14.0 m-20 -67.03 -27.59 67.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 74.4 mtp -84.52 28.68 0.64 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 56.14 28.42 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.395 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' Q' ' 81' ' ' GLU . 11.6 mmt -116.95 69.07 0.75 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.48 -42.78 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.569 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.59 -49.64 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' Q' ' 81' ' ' GLU . 54.5 mp0 -58.78 -54.4 47.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.134 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.85 -31.7 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.404 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -63.74 -31.05 72.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' Q' ' 87' ' ' ARG . 1.3 tt -69.57 -52.72 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.616 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -8.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.528 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 46.8 ttt180 -85.34 -4.83 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.82 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.64 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.389 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 1' ' ' MET . . . . . 0.445 ' O ' ' O ' ' Q' ' 2' ' ' GLY . 49.5 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 2' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' Q' ' 1' ' ' MET . . . 22.2 103.97 0.0 OUTLIER Glycine 0 N--CA 1.472 1.081 0 O-C-N 124.019 0.825 . . . . 0.0 112.836 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -87.22 -38.2 16.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 4' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' Q' ' 63' ' ' ASP . 73.3 mttt -75.88 -43.84 43.49 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.38 -32.61 66.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.91 -49.62 28.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.781 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.48 82.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.091 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mt -64.82 -60.02 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.03 -39.87 72.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.415 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -32.05 63.79 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.367 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 79.3 t -90.55 -41.0 13.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.04 -26.82 69.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.158 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.49 -24.07 63.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.656 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -84.34 -8.6 58.95 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.086 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.93 118.55 14.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 41.6 p -64.45 148.03 96.75 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.589 -178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -35.11 -38.54 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.215 0 C-N-CA 122.532 2.154 . . . . 0.0 112.883 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.19 -40.62 64.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.204 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.9 mt-10 -70.57 -29.18 65.55 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.25 -38.11 88.03 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -64.05 -50.87 66.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.296 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -63.98 -40.25 95.97 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.414 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -47.59 -49.42 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.185 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -59.82 -49.25 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.85 -45.88 69.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.186 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -65.63 -8.2 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.144 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.56 -33.94 67.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.643 0.735 . . . . 0.0 109.305 177.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 35.39 4.03 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.941 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -123.81 -42.33 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.56 118.7 33.56 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.837 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -42.9 144.95 1.26 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.894 1.73 . . . . 0.0 112.025 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -119.6 128.05 53.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.78 170.64 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.3 107.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.466 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.17 -37.39 1.77 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.65 147.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.204 0.526 . . . . 0.0 109.645 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -131.2 -176.74 4.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.218 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.29 159.05 13.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.687 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mm -82.29 124.79 77.97 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.197 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -39.96 128.01 2.01 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.29 1.993 . . . . 0.0 112.492 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 41' ' ' ARG . . . . . 0.44 ' CD ' ' N ' ' Q' ' 41' ' ' ARG . 0.9 OUTLIER -71.42 -26.0 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.234 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 -27.35 37.77 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.438 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 43' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -82.19 -13.25 57.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.278 0.539 . . . . 0.0 111.766 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 mt -71.85 0.76 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.759 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 45' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -69.87 -124.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.999 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.25 7.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 47' ' ' LEU . . . . . 0.577 ' H ' ' C ' ' Q' ' 45' ' ' GLY . 9.4 mp -74.84 113.64 12.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.671 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 48' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 9.2 m-20 -81.75 166.55 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.075 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -17.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.054 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 50' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 14.6 t -75.85 -61.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.878 0.37 . . . . 0.0 110.023 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.71 -31.7 70.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -39.59 94.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 55.3 m -72.41 -45.32 60.25 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.168 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 54' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 14.2 t70 -58.59 -41.26 85.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.202 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -57.27 -56.73 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.66 -46.99 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.88 -35.17 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 58' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.28 -45.72 65.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.718 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 -37.44 29.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 60' ' ' TYR . . . . . 0.539 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 69.2 m-85 -104.63 -6.96 19.99 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.098 0.408 . . . . 0.0 112.074 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 61' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.55 151.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.43 -34.7 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 63' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' Q' ' 4' ' ' LYS . 6.1 m-20 -74.17 -52.11 13.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -78.87 -30.26 44.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.764 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 65' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.3 -59.46 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.701 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 66' ' ' ALA . . . . . 0.487 ' O ' ' CG2' ' Q' ' 70' ' ' VAL . . . -45.33 -45.81 12.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.92 -35.73 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 68' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.3 OUTLIER -70.59 -54.97 9.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.043 178.188 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -58.36 -51.11 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.711 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 70' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' Q' ' 66' ' ' ALA . 70.1 t -49.49 -62.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.395 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.88 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 72' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.15 -50.84 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.099 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -57.01 -42.98 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.21 -40.8 82.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Q' ' 75' ' ' ASP . 33.1 t0 -64.24 -29.48 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.255 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 56.4 mtp -84.94 29.48 0.63 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 58.34 35.48 24.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.6 mtt -116.74 64.94 0.71 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 79' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' Q' ' 79' ' ' LEU . 3.6 mm? -69.45 -24.28 63.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.752 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -84.47 -53.76 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.442 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -56.88 -52.85 63.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.522 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.31 -31.73 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.376 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.02 98.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -64.47 -31.04 72.08 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 85' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' Q' ' 87' ' ' ARG . 1.6 tt -70.82 -47.37 59.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.929 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -6.07 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 87' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 38.5 ttt85 -85.72 -1.33 57.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.452 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.69 38.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 89' ' ' ALA . . . . . 0.539 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.389 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.017 0 N-CA-C 112.871 -0.091 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 79.4 m -88.51 -39.36 14.24 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.783 0.325 . . . . 0.0 110.235 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' Q' ' 66' ' ' ALA . 22.5 mtpt -77.27 -43.12 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.5 -29.06 65.97 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.05 -49.79 12.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.558 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.96 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mt -62.43 -63.23 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.592 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.54 -39.41 70.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -28.65 56.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.224 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.25 -43.03 13.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.433 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.33 -28.4 69.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.179 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.37 -20.46 62.96 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.297 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.15 -9.69 54.61 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.68 117.25 13.02 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.518 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 3.2 p -65.84 150.82 95.99 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.766 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -32.2 -37.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 123.465 2.777 . . . . 0.0 114.179 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -73.78 -36.14 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.778 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' Q' ' 16' ' ' THR . 66.7 mt-10 -77.08 -33.27 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.944 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.32 -46.82 88.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -61.09 -51.02 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.805 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -62.35 -40.33 96.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.148 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 71.7 t80 -49.4 -51.35 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.098 0.475 . . . . 0.0 110.22 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 37.7 mttm -56.13 -50.01 72.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.53 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.83 -44.1 56.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.057 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.95 -11.02 15.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.761 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.492 HD13 HD21 ' Q' ' 56' ' ' LEU . 6.4 mt -74.58 -26.23 59.8 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.651 -0.82 . . . . 0.0 108.865 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 30.67 7.08 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -123.39 -45.15 2.1 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' Q' ' 32' ' ' LEU . 37.4 t -63.22 115.68 19.59 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.686 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . 0.451 ' C ' HD22 ' Q' ' 32' ' ' LEU . 76.0 Cg_exo -46.77 146.04 6.07 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.711 1.607 . . . . 0.0 111.833 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' Q' ' 30' ' ' VAL . 4.3 mm? -117.04 153.59 32.42 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.223 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -65.53 166.04 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' Q' ' 36' ' ' PHE . 50.8 mm-40 -32.86 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.88 1.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.582 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . 0.547 ' H ' ' C ' ' Q' ' 34' ' ' GLU . 16.2 m-85 -111.69 147.21 36.06 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.575 0.687 . . . . 0.0 109.984 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -137.71 -176.95 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.699 0.761 . . . . 0.0 111.328 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . 0.541 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -67.82 171.16 6.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.98 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.546 HD13 ' HZ2' ' Q' ' 55' ' ' LYS . 1.2 mm -80.24 122.25 82.64 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' HZ2' ' Q' ' 55' ' ' LYS . 55.5 Cg_exo -39.95 146.08 0.26 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 121.841 1.694 . . . . 0.0 111.872 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -57.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.114 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.19 -10.15 9.37 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.499 -0.381 . . . . 0.0 112.832 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.56 -9.58 57.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.288 0.544 . . . . 0.0 111.758 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.525 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 14.1 mt -79.31 -67.43 0.76 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.24 32.2 4.49 Favored Glycine 0 N--CA 1.468 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.691 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -126.86 -43.86 1.67 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.576 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.407 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 8.1 mt -82.48 135.54 35.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.788 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 172.14 13.23 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -25.17 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.448 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.08 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.203 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.11 -30.98 70.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.583 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.21 -36.19 82.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 21.8 m -72.12 -47.61 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.945 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 18.5 t70 -58.21 -45.2 88.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.035 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . 0.546 ' HZ2' HD13 ' Q' ' 39' ' ' ILE . 25.8 tptp -62.75 -39.03 92.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.492 HD21 HD13 ' Q' ' 27' ' ' LEU . 15.1 mt -70.0 -54.49 12.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.576 0.703 . . . . 0.0 109.353 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' Q' ' 61' ' ' TYR . 53.5 t -63.55 -41.36 92.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.499 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.31 -39.2 78.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.529 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 86.6 p -79.88 -36.73 36.16 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.534 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.1 m-85 -109.19 -3.86 16.96 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.551 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.56 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.083 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.99 -35.58 69.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.533 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -74.77 -51.85 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -78.21 -29.5 48.36 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.642 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.36 -59.36 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.794 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.415 ' HB3' ' NZ ' ' Q' ' 4' ' ' LYS . . . -45.51 -42.09 10.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.718 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.1 -42.97 96.71 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.476 ' O ' HG23 ' Q' ' 72' ' ' VAL . 20.4 tp -66.92 -47.66 71.05 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.307 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.0 -49.93 79.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.405 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.568 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 5.3 t -50.23 -62.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.14 28.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.476 HG23 ' O ' ' Q' ' 68' ' ' LEU . 87.5 t -68.71 -51.87 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.855 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 26.5 mt -55.54 -43.33 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -54.48 -38.56 66.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.032 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.65 -31.61 72.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 23.4 mtm -84.89 28.66 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.24 34.61 20.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.219 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mmm -120.01 65.83 0.82 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.65 -49.27 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.206 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 79.8 mt-10 -62.72 -44.62 95.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' Q' ' 81' ' ' GLU . 28.2 mp0 -59.07 -56.21 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.473 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.568 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -52.71 -26.86 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -63.74 -37.99 89.44 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -64.25 -28.0 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.84 -44.92 72.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -57.43 -17.74 14.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 . . . . . 0 C--N 1.332 -0.158 0 CA-C-O 120.814 0.34 . . . . 0.0 110.165 179.835 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 86.1 m -90.92 -29.77 17.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -76.52 -42.89 41.6 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.42 -45.24 76.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.57 -50.63 73.14 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.203 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.34 86.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.277 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.15 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.694 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.8 mt -54.27 -40.2 67.6 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.353 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -32.13 63.72 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.935 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.46 -42.1 14.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.94 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.666 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.97 -23.5 62.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.241 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -86.28 -9.61 56.14 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.102 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.8 114.79 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.471 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.91 156.98 82.15 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.658 -178.338 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -32.43 -46.97 0.28 Allowed 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.829 3.019 . . . . 0.0 115.05 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' Q' ' 18' ' ' GLU . 26.9 mp0 -70.27 -35.94 74.09 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.508 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 57.6 mp0 -75.43 -32.18 60.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.26 -48.31 80.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -63.18 -46.61 86.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.382 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -67.53 -42.49 82.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 86.6 t80 -45.98 -53.79 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.45 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 40.6 mttm -57.81 -38.83 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.605 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 8.9 ttm -77.84 -46.99 19.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -62.8 -11.37 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.951 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.601 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.2 mt -73.98 -33.93 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.24 28.4 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.5 m -125.67 -50.76 1.61 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 110.119 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . 0.476 ' O ' HG13 ' Q' ' 30' ' ' VAL . 9.2 p -61.26 122.23 68.65 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.599 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -39.34 147.52 0.15 Allowed 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.581 2.188 . . . . 0.0 113.951 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.522 HD22 ' N ' ' Q' ' 32' ' ' LEU . 3.4 mm? -106.89 137.94 44.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.456 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 69.6 mtt180 -69.36 -178.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.879 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 24.3 mm-40 25.29 -94.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.74 0.65 . . . . 0.0 111.973 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.74 82.15 0.11 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -100.94 159.48 15.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -96.8 145.89 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.29 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -64.05 164.31 10.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.716 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.728 HG21 HD21 ' Q' ' 44' ' ' LEU . 3.2 mm -83.51 125.54 73.6 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.057 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . 0.452 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 26.0 Cg_exo -37.77 116.61 0.21 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.915 1.743 . . . . 0.0 111.773 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.33 -17.15 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.869 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.11 -26.15 13.02 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.301 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.27 -8.65 59.42 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.971 0.385 . . . . 0.0 111.288 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.728 HD21 HG21 ' Q' ' 39' ' ' ILE . 60.8 mt -68.34 4.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.425 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -70.97 -127.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.787 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -49.7 7.04 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 65.2 mt -79.74 118.59 21.68 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.459 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.44 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 1.1 m-20 -83.24 169.95 15.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.694 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.35 -16.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.7 t -75.03 -63.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.407 . . . . 0.0 110.402 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.75 -32.01 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.075 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.756 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -64.1 -36.3 83.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.539 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.563 ' N ' HD13 ' Q' ' 52' ' ' LEU . 41.7 m -71.61 -44.02 65.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.178 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 9.9 t70 -59.13 -40.69 86.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.745 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -59.21 -57.38 13.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.412 HD11 HD13 ' Q' ' 27' ' ' LEU . 28.8 mt -61.59 -48.04 82.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.358 0.599 . . . . 0.0 110.208 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 23.9 t -61.69 -34.41 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.87 -46.05 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -81.3 -37.9 27.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.549 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 71.5 m-85 -102.15 -6.97 22.62 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.068 -0.395 . . . . 0.0 111.752 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 80.54 147.77 0.09 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 110.946 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 32.1 mp0 -52.14 -48.55 64.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.35 -47.09 58.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -175.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -81.05 -28.32 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.042 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.87 -57.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 118.943 -1.103 . . . . 0.0 108.626 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.709 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.63 -47.6 10.45 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.58 -39.33 80.05 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -68.42 -50.0 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.47 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 61.3 t -60.62 -49.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.243 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.709 HG23 ' O ' ' Q' ' 66' ' ' ALA . 69.0 t -49.67 -61.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.63 51.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.446 HG23 ' O ' ' Q' ' 68' ' ' LEU . 53.9 t -66.18 -50.86 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.534 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.563 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 32.7 mt -58.32 -41.55 84.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -57.48 -40.8 79.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 109.885 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.87 -27.39 67.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mmm -83.84 22.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.343 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 60.5 32.79 20.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.223 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtp -113.81 64.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.47 -27.09 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.436 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' Q' ' 80' ' ' GLU . 10.4 mp0 -80.43 -50.45 10.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 111.201 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.49 -53.42 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.371 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -56.59 -34.66 67.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.298 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.13 99.46 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -64.07 -29.03 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.592 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.7 tt -71.14 -48.04 54.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.082 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -58.18 -9.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.698 0.285 . . . . 0.0 111.48 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.649 0.261 . . . . 0.0 110.422 179.627 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 80.1 m -89.81 -39.35 13.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -74.65 -46.88 35.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -56.51 -31.51 64.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -78.24 -47.05 18.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.432 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.45 92.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.33 -62.39 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.623 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.626 HD21 ' O ' ' Q' ' 49' ' ' ILE . 12.1 mt -53.61 -40.14 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.43 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -54.97 -30.87 60.12 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.525 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -91.85 -43.67 14.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.434 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.19 -25.49 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 109.31 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.4 -22.51 63.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.578 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -83.86 -9.7 58.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.85 116.88 12.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -66.17 151.81 95.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -31.08 -42.54 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.533 2.822 . . . . 0.0 113.858 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' Q' ' 18' ' ' GLU . 19.5 mp0 -69.85 -55.12 10.63 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.754 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 13.3 mp0 -60.24 -27.72 67.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.001 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . 0.559 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 28.0 tp -62.26 -42.67 99.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.32 -53.34 54.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.561 -1.199 . . . . 0.0 111.363 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -63.07 -40.76 98.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.546 ' O ' HD13 ' Q' ' 27' ' ' LEU . 88.9 t80 -49.11 -58.13 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.288 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.559 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 44.7 mttp -51.59 -37.25 49.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.445 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 48.1 mtp -78.86 -39.47 35.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.964 0.411 . . . . 0.0 110.401 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -65.93 -8.75 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.081 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.859 HD21 HD11 ' Q' ' 56' ' ' LEU . 6.0 mp -67.58 -27.72 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.31 31.25 6.49 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.418 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -121.09 -47.37 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.01 0.433 . . . . 0.0 109.868 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.68 118.43 19.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.46 144.84 1.83 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.661 1.574 . . . . 0.0 111.637 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.53 131.81 56.64 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.533 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 0.1 OUTLIER -69.85 176.22 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.8 99.17 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.53 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.72 -23.74 1.04 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 3.4 m-85 -121.75 154.13 37.34 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -135.08 -176.91 4.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.488 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -62.55 156.88 21.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.616 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.637 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.5 mm -82.26 130.08 61.07 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.701 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 42.7 Cg_exo -40.01 117.58 0.44 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.706 1.604 . . . . 0.0 111.671 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -67.9 -28.05 67.17 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.148 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.93 -27.84 48.45 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.565 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.02 -13.09 56.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.32 0.56 . . . . 0.0 112.01 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.637 HD21 HG21 ' Q' ' 39' ' ' ILE . 58.5 mt -69.3 6.48 1.0 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.917 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -72.2 -126.13 0.08 OUTLIER Glycine 0 CA--C 1.532 1.132 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.047 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . 0.406 ' HG3' ' H ' ' Q' ' 46' ' ' GLN . 23.2 mt-30 -45.55 5.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 78.8 mt -78.91 118.9 21.36 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.282 0.946 . . . . 0.0 111.032 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 2.1 m-20 -82.1 167.06 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.443 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.626 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.83 -19.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.041 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 61.2 t -74.58 -62.82 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 1.5 m-20 -68.54 -32.84 73.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.084 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.798 HD22 ' O ' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.27 -33.99 77.08 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.14 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.713 ' N ' HD13 ' Q' ' 52' ' ' LEU . 23.9 m -72.86 -46.2 54.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 9.9 t70 -56.47 -39.77 73.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.846 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -58.1 -53.38 58.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.859 HD11 HD21 ' Q' ' 27' ' ' LEU . 13.4 mt -63.3 -49.39 74.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.18 0.514 . . . . 0.0 109.71 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.66 -35.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.33 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.45 -46.07 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 111.081 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 24.3 p -81.76 -36.0 29.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.9 m-85 -107.28 -3.35 19.81 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.296 0.498 . . . . 0.0 112.302 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.9 152.63 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 110.025 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -54.45 -43.75 71.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.56 -49.97 28.77 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . 0.533 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.2 t80 -78.77 -28.87 44.79 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.157 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.84 -58.21 9.37 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.664 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.488 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.25 -43.74 10.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.825 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.37 -39.6 91.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 4.5 tt -68.56 -50.81 48.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.82 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.54 -47.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.536 ' CG1' ' HE ' ' Q' ' 74' ' ' ARG . 22.3 t -49.79 -63.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.64 -27.56 17.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.429 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.6 t -69.49 -52.9 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.639 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 46.3 mt -55.36 -44.1 75.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.79 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . 0.536 ' HE ' ' CG1' ' Q' ' 70' ' ' VAL . 93.3 mtt-85 -57.16 -38.93 74.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.433 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' NE ' ' Q' ' 77' ' ' ARG . 37.6 t70 -65.2 -30.17 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.041 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 43.8 mtm -83.71 26.37 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . 0.708 ' HE ' ' H ' ' Q' ' 77' ' ' ARG . 0.0 OUTLIER 58.42 36.02 25.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.8 mmt -120.19 68.09 0.84 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . 0.508 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.5 mm? -68.96 -21.55 64.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.995 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 38.5 mt-10 -82.4 -47.37 12.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.588 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -58.24 -57.86 11.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.9 -31.1 48.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.265 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.83 -45.63 93.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.34 -28.33 69.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.615 ' O ' HD23 ' Q' ' 85' ' ' LEU . 2.2 tt -71.08 -46.48 61.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.143 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 8.2 tm0? -57.69 -12.6 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.379 179.644 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.4 m -94.03 -35.97 12.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.683 0.278 . . . . 0.0 110.356 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -75.17 -45.36 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -57.89 -25.5 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -49.78 8.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.812 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.53 -62.73 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.687 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.34 -39.42 69.99 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -55.89 -32.31 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.787 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . 0.734 HG21 HD21 ' Q' ' 85' ' ' LEU . 31.9 t -90.49 -42.04 13.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.222 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.69 -28.11 69.17 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.689 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.23 -21.38 64.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.208 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' Q' ' 14' ' ' ASN . 1.8 m-20 -84.16 -11.62 56.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.87 117.67 13.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.549 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 75.4 p -65.64 147.46 98.69 Favored Pre-proline 0 C--N 1.32 -0.707 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.55 -178.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -33.99 -39.21 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.926 2.417 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' Q' ' 18' ' ' GLU . 20.5 mp0 -73.53 -38.21 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.21 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' Q' ' 16' ' ' THR . 34.4 mt-10 -71.27 -30.65 66.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.168 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.06 -38.73 87.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -63.63 -52.86 58.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.339 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -65.08 -40.88 95.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.407 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 87.3 t80 -47.74 -62.29 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.436 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -54.06 -36.4 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.808 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.1 ttt -74.23 -42.27 60.0 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -65.54 -8.49 20.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.68 -21.39 66.1 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.039 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.79 28.78 10.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 17.2 m -118.13 -50.17 2.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 4.9 t -59.11 121.1 52.97 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.165 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . 0.469 ' C ' HD12 ' Q' ' 32' ' ' LEU . 88.1 Cg_exo -40.92 147.56 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.007 1.805 . . . . 0.0 112.567 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' Q' ' 30' ' ' VAL . 8.0 mp -116.96 126.61 53.19 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -68.91 168.31 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.61 92.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.677 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.79 -17.46 0.56 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -117.81 147.38 43.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.288 0.566 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -121.34 179.41 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.362 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -67.1 169.64 8.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' Q' ' 39' ' ' ILE . 23.2 mm -83.59 114.95 56.97 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -37.82 125.36 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.786 1.657 . . . . 0.0 111.797 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -58.44 -41.07 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.253 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.13 -24.8 76.68 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.749 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.576 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -82.6 -7.01 59.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.37 6.81 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.318 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -76.35 -121.28 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.819 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -51.16 12.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.576 HD12 ' O ' ' Q' ' 43' ' ' ALA . 27.8 mt -72.39 97.98 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.15 166.91 20.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -22.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.457 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.44 -60.08 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.214 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.34 -33.23 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.76 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.4 -36.52 84.4 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.407 ' N ' HD13 ' Q' ' 52' ' ' LEU . 19.3 m -71.52 -48.1 51.0 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.899 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.7 t70 -57.14 -42.23 80.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.713 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -57.33 -54.65 44.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.954 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.64 -48.75 75.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.48 -35.06 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.42 -44.55 67.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -81.99 -37.48 26.56 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.542 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 84.3 m-85 -106.95 -6.22 17.68 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.73 152.9 0.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' Q' ' 62' ' ' GLU . 50.5 mp0 -57.46 -35.18 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.58 -52.32 13.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.7 -29.8 45.65 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.776 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.68 -60.5 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.889 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.463 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.11 -45.82 11.41 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.21 -38.35 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.57 ' O ' HD23 ' Q' ' 68' ' ' LEU . 2.5 tt -68.15 -48.79 64.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.568 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 93.7 t -56.04 -47.17 80.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.21 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.463 HG23 ' O ' ' Q' ' 66' ' ' ALA . 29.5 t -48.04 -64.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.389 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.76 -29.88 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.5 HG23 ' O ' ' Q' ' 68' ' ' LEU . 61.9 t -68.86 -54.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.591 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 44.5 mt -54.53 -42.08 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -56.55 -38.86 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.336 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.97 -28.88 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.35 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 64.5 mtt -85.64 23.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.194 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 59.07 50.63 7.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.89 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . 0.485 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 16.2 mmt -125.15 65.55 1.13 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.139 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . 0.579 HD12 ' N ' ' Q' ' 79' ' ' LEU . 8.1 mp -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.851 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -88.5 -52.08 5.36 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . 0.485 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 10.6 mt-10 -59.21 -57.26 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.967 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.1 -28.75 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.748 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.31 77.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -67.4 -29.11 68.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.824 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.734 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.2 mm? -73.52 -41.02 63.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' Q' ' 86' ' ' GLN . 2.2 tm0? -62.75 -3.86 1.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.872 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.902 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -88.94 -38.38 14.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.371 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.67 -43.15 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.8 -41.57 74.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.7 -48.34 72.33 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.4 mt -61.91 -60.84 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.622 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.5 mt -56.93 -37.72 71.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -57.53 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.17 -42.12 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.61 -26.28 67.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.941 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -84.62 -8.75 58.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.934 0.397 . . . . 0.0 109.966 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 70.7 mt -71.99 117.35 13.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.524 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.1 p -65.06 150.81 94.84 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -31.05 -41.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.178 0 C-N-CA 123.254 2.636 . . . . 0.0 113.633 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' Q' ' 18' ' ' GLU . 13.1 mp0 -72.03 -40.52 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.602 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.2 mt-10 -76.27 -29.3 57.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.08 -52.39 59.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.44 -47.33 86.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.94 -43.7 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.99 -47.43 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.066 0.46 . . . . 0.0 109.854 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -58.14 -43.67 87.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.27 -43.44 56.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.896 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -61.89 -8.8 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.098 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.583 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -68.76 -31.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.444 0.64 . . . . 0.0 109.363 177.578 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.95 27.23 6.1 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.3 m -117.04 -48.04 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.6 135.55 86.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.811 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -68.16 148.9 75.87 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.596 1.531 . . . . 0.0 111.463 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.431 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.1 mm? -117.79 130.02 56.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.426 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 84.2 mtt-85 -69.27 -172.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.41 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -70.31 124.28 23.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.4 -38.72 2.87 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.6 m-85 -105.02 150.38 24.99 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.367 0.604 . . . . 0.0 110.688 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -138.4 -176.1 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.541 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.02 157.38 22.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.98 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.753 HG21 HD21 ' Q' ' 44' ' ' LEU . 4.7 mm -82.11 128.58 67.43 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.478 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -38.52 113.12 0.14 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.986 1.791 . . . . 0.0 111.831 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -62.14 -24.68 67.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.9 -26.91 33.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.57 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.556 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.57 -10.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.969 0.385 . . . . 0.0 111.822 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.753 HD21 HG21 ' Q' ' 39' ' ' ILE . 74.1 mt -64.81 1.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.911 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.71 -115.34 0.04 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -47.99 2.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.556 HD12 ' O ' ' Q' ' 43' ' ' ALA . 22.3 mt -72.94 102.41 3.45 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.259 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -80.83 165.89 21.45 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.622 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.83 -20.29 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.925 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.27 -62.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.14 -31.35 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.461 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.43 HD13 ' O ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -63.87 -38.09 89.82 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.645 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -71.59 -44.69 64.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.787 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 28.6 t70 -60.0 -42.31 93.98 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.058 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -58.0 -54.14 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.217 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.57 -48.18 75.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.138 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . 0.4 ' CG1' ' OE2' ' Q' ' 62' ' ' GLU . 40.4 t -62.99 -35.58 72.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.37 -42.58 71.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 27.4 t -82.22 -38.04 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.519 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 81.4 m-85 -106.62 -3.84 20.24 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 75.05 155.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.661 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 36.1 mp0 -56.18 -37.11 69.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.217 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.98 -53.29 9.21 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . 0.426 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 2.9 t80 -75.54 -28.51 59.08 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.827 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.77 -57.37 13.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.786 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.08 -41.9 5.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -63.7 -42.53 97.97 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 12.9 tp -67.94 -52.12 39.73 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.49 -51.21 51.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 4.9 t -50.99 -62.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.643 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.63 -30.33 13.21 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.406 HG23 ' O ' ' Q' ' 68' ' ' LEU . 77.4 t -67.7 -50.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.449 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 27.0 mt -56.98 -43.39 81.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.777 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -55.61 -41.9 74.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.394 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.34 -29.03 70.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.812 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.6 mmm -86.37 32.25 0.64 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.438 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' Q' ' 77' ' ' ARG . 10.4 mpt_? 57.03 39.15 29.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.554 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mtt -120.66 58.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.26 -19.25 63.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -91.62 -47.27 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.958 0.409 . . . . 0.0 111.143 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' Q' ' 81' ' ' GLU . 16.7 mt-10 -60.68 -54.26 47.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -57.65 -30.31 65.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.5 81.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -66.44 -28.56 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.61 -45.57 68.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -62.07 -7.21 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.247 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 . . . . . 0 CA--C 1.53 0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.055 -179.749 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 21.9 m -88.8 -35.78 16.44 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -76.56 -42.84 41.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.04 -35.97 67.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.56 -49.19 50.59 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.57 90.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.116 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.9 -58.87 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.593 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.8 mt -56.47 -40.9 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . 0.424 ' O ' ' ND2' ' Q' ' 14' ' ' ASN . 0.4 OUTLIER -55.53 -33.89 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.288 -179.495 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.9 t -90.02 -43.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.72 -26.83 68.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.466 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -70.35 -24.5 62.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' Q' ' 10' ' ' LYS . 3.8 m-80 -84.92 -8.69 58.66 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.007 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.42 119.77 15.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.547 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 7.5 p -63.2 150.38 89.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -31.26 -43.97 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 123.226 2.617 . . . . 0.0 113.288 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.66 -39.55 70.24 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.486 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' Q' ' 16' ' ' THR . 46.6 mt-10 -73.82 -30.53 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.46 -54.0 43.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -63.07 -41.79 99.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -64.26 -41.41 96.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -47.77 -42.11 24.9 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -60.4 -43.34 96.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.55 -48.89 15.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.71 -10.65 28.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.332 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.99 -39.68 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 31.4 4.75 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 79.8 m -117.64 -40.75 3.0 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.88 136.53 93.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.674 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.24 149.24 88.86 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.268 1.312 . . . . 0.0 110.65 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -119.05 135.83 54.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.991 0.424 . . . . 0.0 110.134 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' Q' ' 36' ' ' PHE . 75.7 mtt-85 -68.75 169.61 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.231 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' Q' ' 36' ' ' PHE . 15.0 mm-40 -39.0 -88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.486 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -32.89 -26.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.189 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' Q' ' 34' ' ' GLU . 10.1 m-85 -100.93 133.15 45.85 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.507 0.67 . . . . 0.0 110.447 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.25 -177.63 3.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.792 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -66.93 170.04 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.168 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.575 ' CD1' ' HZ2' ' Q' ' 55' ' ' LYS . 3.4 mm -91.16 117.27 67.76 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -39.67 112.65 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.53 1.486 . . . . 0.0 111.643 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -61.25 -20.78 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.59 -26.84 28.81 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.274 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.811 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -82.64 -8.68 59.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.99 0.395 . . . . 0.0 111.929 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' Q' ' 44' ' ' LEU . 33.2 mt -73.04 1.08 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.817 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.56 -122.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.051 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . 0.414 ' HG2' ' H ' ' Q' ' 46' ' ' GLN . 38.7 mm-40 -50.88 11.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.811 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.7 mp -76.9 108.23 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 27.5 m-20 -82.8 169.31 16.26 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.593 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.69 -18.97 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.939 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 57.4 t -76.8 -63.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 109.889 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 0.9 OUTLIER -68.14 -32.94 73.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.549 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.11 -35.15 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 15.5 m -72.58 -45.48 58.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.5 t0 -59.12 -48.03 83.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.024 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . 0.575 ' HZ2' ' CD1' ' Q' ' 39' ' ' ILE . 26.2 tptp -58.78 -40.6 84.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.28 -55.68 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.142 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.32 -34.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.104 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.71 -45.9 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.4 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -81.61 -37.11 28.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' O ' ' O ' ' Q' ' 61' ' ' TYR . 96.4 m-85 -109.59 22.62 15.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.134 -0.354 . . . . 0.0 111.65 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 50.72 153.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.74 0.781 . . . . 0.0 112.181 178.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -52.95 -45.95 67.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.189 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' Q' ' 64' ' ' TYR . 5.4 p-10 -74.02 -50.3 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' Q' ' 63' ' ' ASP . 27.9 t80 -75.49 -26.5 58.21 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.161 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -61.63 -56.2 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.386 -0.926 . . . . 0.0 108.758 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.421 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -43.77 -44.01 6.44 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.833 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.83 -39.87 90.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -66.91 -51.02 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.302 178.725 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.35 -49.94 78.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.494 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.589 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 24.7 t -50.16 -64.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.86 -29.13 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.406 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.4 t -69.19 -50.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.641 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.49 -44.99 81.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.695 -0.402 . . . . 0.0 109.932 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -56.66 -40.72 75.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.294 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.66 -27.12 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.453 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtm -86.53 15.75 5.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.236 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 70.64 40.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.5 mmt -120.76 65.37 0.85 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . 0.553 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.2 mm? -70.41 -20.74 62.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.701 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.628 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 42.2 mt-10 -89.63 -50.51 6.03 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 55.5 mp0 -58.39 -51.43 69.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -53.11 -24.91 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -65.27 -30.71 71.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.836 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.16 -45.7 72.78 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.62 -19.31 37.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.204 179.761 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m -90.37 -40.3 12.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.781 0.324 . . . . 0.0 110.423 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -72.29 -45.68 59.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -56.91 -30.62 64.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -79.52 -47.04 16.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.138 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.08 89.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.804 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.42 -61.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.649 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.69 HD21 ' O ' ' Q' ' 49' ' ' ILE . 10.3 mt -53.3 -40.77 65.02 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.55 -33.76 60.69 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.821 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . 0.625 HG21 HD21 ' Q' ' 85' ' ' LEU . 40.6 t -91.64 -40.36 12.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.13 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.22 -26.72 67.93 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.403 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.33 -23.58 63.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.16 -10.5 56.63 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.908 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.56 119.34 15.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.544 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.7 p -66.31 151.3 96.07 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -31.81 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 123.211 2.608 . . . . 0.0 113.496 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -70.19 -36.32 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.628 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' Q' ' 16' ' ' THR . 41.9 mt-10 -75.71 -30.07 59.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.87 -55.07 33.64 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.45 -44.34 92.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.1 -38.79 92.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 44.3 t80 -50.55 -51.3 49.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 110.19 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -57.59 -48.74 78.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.962 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ttt -72.94 -42.09 63.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.239 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -62.21 -9.75 8.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.657 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.3 OUTLIER -72.02 -34.55 68.93 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.404 0.621 . . . . 0.0 109.558 177.391 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.67 30.59 3.45 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.211 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -129.46 -44.78 1.23 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.365 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.57 114.16 8.83 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.225 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.25 143.48 10.69 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.378 1.385 . . . . 0.0 110.687 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.667 HD22 ' N ' ' Q' ' 32' ' ' LEU . 1.9 mm? -103.68 150.27 24.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.233 0.54 . . . . 0.0 111.475 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 56.2 mtt-85 -67.81 -179.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.715 178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 46.6 mm-40 20.22 -92.17 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.8 0.688 . . . . 0.0 112.107 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.38 86.83 0.1 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.731 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -99.95 158.78 15.57 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -91.02 154.78 19.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.4 0.619 . . . . 0.0 111.043 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -59.69 170.62 1.05 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.357 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 25.5 mm -95.93 117.37 66.39 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 119.451 -0.309 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -40.89 108.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.464 1.443 . . . . 0.0 111.025 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.72 -19.99 63.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.049 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.97 -20.17 40.39 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.29 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.771 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -86.72 -15.44 39.48 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.098 0.449 . . . . 0.0 112.079 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 60.6 mt -71.61 -8.74 55.95 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.081 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -57.03 -114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.837 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' Q' ' 46' ' ' GLN . 0.7 OUTLIER -50.67 8.19 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -178.029 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.771 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.0 mp -81.04 111.38 17.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.326 0.512 . . . . 0.0 111.019 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 34.4 m-20 -81.04 166.69 20.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.69 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.91 -18.09 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 97.2 t -76.47 -63.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 3.9 m-20 -69.93 -33.94 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -64.11 -29.3 70.44 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 5.2 m -75.83 -45.23 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 30.8 t70 -59.31 -45.37 91.49 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.6 -51.23 69.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.693 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.54 -48.01 71.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.417 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.92 -36.52 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.214 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.42 -44.22 65.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.395 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.4 p -78.73 -32.26 46.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.538 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 44.5 m-85 -109.35 -6.32 15.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.538 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 78.8 150.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.0 109.937 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.26 -37.52 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.28 -53.76 9.08 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' Q' ' 64' ' ' TYR . 1.8 t80 -73.41 -31.82 64.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.052 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.659 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.47 -43.16 3.54 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -65.26 -40.0 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 21.2 tp -67.62 -44.2 78.58 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.4 t -54.09 -47.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.62 -65.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.46 -32.58 7.99 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.516 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 63.7 t -65.15 -53.82 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.443 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 60.0 mt -53.43 -37.82 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' Q' ' 76' ' ' MET . 93.2 mtt180 -67.2 -16.79 64.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 18.7 t0 -54.04 -34.76 60.85 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . 0.451 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 17.5 mtt -84.78 -133.24 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 174.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -133.75 69.0 1.47 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -112.68 50.55 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.723 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.46 -23.0 66.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.594 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 11.1 tm-20 -96.57 -55.89 2.77 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -58.97 -54.9 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -54.83 -21.44 11.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.691 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -66.72 -34.98 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -66.21 -29.02 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.818 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.625 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.2 mm? -73.43 -27.43 61.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.297 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 -23.43 67.25 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.565 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m -89.61 -42.09 11.59 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.214 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.17 -45.96 45.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -56.19 -27.94 56.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -82.39 -45.93 14.2 Favored 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.815 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.05 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 109.863 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . 0.421 HG21 HG23 ' Q' ' 53' ' ' THR . 69.4 mt -62.38 -60.69 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.744 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.47 -39.6 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -30.24 62.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.989 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -92.36 -43.15 13.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.96 -30.1 70.05 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.95 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.27 -20.76 64.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -85.94 -9.67 56.49 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.39 119.41 14.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.529 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 11.9 p -62.32 149.24 87.99 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -32.43 -42.42 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 123.197 2.598 . . . . 0.0 113.915 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.21 -31.54 62.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.365 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' Q' ' 16' ' ' THR . 92.0 mt-10 -75.56 -34.65 60.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.498 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . 0.611 HD11 ' HZ3' ' Q' ' 24' ' ' LYS . 25.4 tp -63.12 -42.73 99.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -61.78 -52.41 64.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.614 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -42.76 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -46.31 -53.89 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.392 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.611 ' HZ3' HD11 ' Q' ' 20' ' ' LEU . 40.7 mttp -56.22 -41.67 76.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.258 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 4.3 ttt -73.42 -44.83 57.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' Q' ' 76' ' ' MET . 47.1 mttm -62.43 -8.28 5.85 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.097 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.697 HD11 HD11 ' Q' ' 56' ' ' LEU . 1.6 tt -69.63 -28.17 65.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.79 29.76 7.64 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.69 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 74.7 p -118.95 -45.43 2.57 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.11 134.47 84.22 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.566 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.58 149.93 68.65 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.566 1.511 . . . . 0.0 111.233 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.436 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.2 mm? -118.12 131.68 56.4 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.834 0.349 . . . . 0.0 110.147 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.472 ' HD2' ' H ' ' Q' ' 33' ' ' ARG . 0.2 OUTLIER -70.59 -171.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.394 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -72.22 126.16 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.76 -36.36 3.7 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 0.4 OUTLIER -111.31 151.66 28.13 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.273 0.559 . . . . 0.0 110.161 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -134.94 -176.91 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.241 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . 0.576 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -63.37 157.25 23.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.789 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.758 HG21 HD21 ' Q' ' 44' ' ' LEU . 3.7 mm -82.0 129.5 64.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.576 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -37.71 110.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.186 1.924 . . . . 0.0 111.736 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.0 -16.63 52.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.817 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.3 -27.26 15.99 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.073 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.96 -8.55 59.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.87 0.335 . . . . 0.0 111.687 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.758 HD21 HG21 ' Q' ' 39' ' ' ILE . 83.1 mt -69.72 -50.29 45.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.085 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.75 20.64 2.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 72.6 mt-30 -127.01 -40.93 1.83 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 111.501 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.69 125.83 30.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -81.68 173.52 12.25 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -27.83 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.507 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.77 -59.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.004 0.43 . . . . 0.0 110.355 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.87 -29.65 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.5 OUTLIER -65.34 -38.4 90.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.364 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.421 HG23 HG21 ' Q' ' 8' ' ' ILE . 54.9 m -69.74 -47.0 64.64 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.684 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -58.61 -43.19 89.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.986 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -59.72 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.719 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.697 HD11 HD11 ' Q' ' 27' ' ' LEU . 9.9 mt -64.1 -51.4 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.31 0.576 . . . . 0.0 109.733 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.91 -37.64 79.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.809 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.83 -43.1 72.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -81.77 -37.16 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.6 m-85 -108.86 -4.03 17.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.54 152.22 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.028 0.442 . . . . 0.0 110.047 -179.422 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.72 -38.98 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.434 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.84 -50.16 21.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -81.09 -28.69 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.931 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.13 -58.37 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.631 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.572 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.25 -44.1 10.95 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.649 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -61.32 -40.41 94.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.579 ' O ' HD23 ' Q' ' 68' ' ' LEU . 3.5 tt -67.23 -48.87 66.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.99 -47.04 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.198 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.572 HG23 ' O ' ' Q' ' 66' ' ' ALA . 39.5 t -51.61 -62.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.901 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.464 HG23 ' O ' ' Q' ' 68' ' ' LEU . 84.0 t -67.74 -49.28 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.539 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.21 -43.56 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -56.61 -39.74 74.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.46 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' SD ' ' CE ' ' Q' ' 26' ' ' LYS . 50.4 mmm -84.77 32.61 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 49.04 29.01 2.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.985 0.421 . . . . 0.0 110.355 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . 0.491 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 13.0 mmt -114.38 68.47 0.7 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 41.0 mt -69.52 -23.02 63.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.87 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 88.7 mt-10 -78.05 -47.54 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . 0.491 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 87.0 mt-10 -54.09 -56.58 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.55 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.27 -29.27 60.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.457 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -59.25 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.202 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . 0.503 ' N ' ' CD ' ' Q' ' 84' ' ' ARG . 0.9 OUTLIER -64.72 -25.48 67.95 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.561 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.5 tt -73.36 -49.44 27.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.955 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -58.44 -7.17 0.82 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.338 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 15.6 m -91.68 -40.18 11.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.321 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -75.06 -45.36 42.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.74 -24.8 58.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.1 -48.21 8.83 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.914 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.97 -62.98 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.757 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.72 -39.61 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.535 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.92 -32.44 53.53 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.653 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . 0.762 HG21 HD21 ' Q' ' 85' ' ' LEU . 37.8 t -90.97 -41.54 13.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.669 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.94 -28.75 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.552 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.11 -24.17 64.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -85.35 -9.1 58.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.244 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -70.52 119.09 14.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.8 p -64.98 152.78 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.722 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -32.1 -51.26 0.33 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 123.329 2.686 . . . . 0.0 113.74 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.0 -30.64 69.08 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -78.45 -34.67 47.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.82 -50.42 72.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.17 -46.01 92.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' Q' ' 72' ' ' VAL . 83.5 t80 -51.91 -46.81 64.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.929 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.84 -47.66 82.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.695 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 11.1 mtp -75.36 -38.24 60.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -63.97 -11.48 29.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.462 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 7.2 mt -75.95 -33.69 59.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.61 31.74 3.82 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -126.77 -40.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.04 116.64 19.9 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.139 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -43.81 146.8 1.39 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.734 1.622 . . . . 0.0 111.902 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.476 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.0 mm? -117.61 143.11 46.45 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.462 ' CZ ' ' OH ' ' Q' ' 64' ' ' TYR . 98.6 mtt180 -68.25 178.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.82 16.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -125.1 -21.1 2.14 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -119.66 150.67 39.96 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.302 0.572 . . . . 0.0 110.55 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -122.08 -178.4 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.824 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . 0.592 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -68.34 164.32 21.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.076 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.77 HG21 HD21 ' Q' ' 44' ' ' LEU . 4.9 mm -86.11 125.96 66.67 Favored Pre-proline 0 CA--C 1.54 0.575 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -39.05 117.71 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.793 1.662 . . . . 0.0 111.577 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -64.03 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.52 -23.95 29.8 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.582 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.3 -10.1 58.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.327 0.564 . . . . 0.0 111.806 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.77 HD21 HG21 ' Q' ' 39' ' ' ILE . 84.4 mt -66.79 3.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.935 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -65.65 -113.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.858 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -62.01 13.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.582 HD12 ' O ' ' Q' ' 43' ' ' ALA . 20.5 mt -73.26 100.88 3.24 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.019 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 10.3 m-20 -79.37 164.55 23.94 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -20.95 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.141 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 43.0 t -75.35 -62.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.203 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 -32.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -63.23 -34.76 78.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.2 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.412 ' N ' HD13 ' Q' ' 52' ' ' LEU . 26.5 m -74.57 -44.32 51.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.342 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 48.4 t0 -59.36 -36.45 75.77 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.778 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.24 -54.79 35.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.452 HD11 HD13 ' Q' ' 27' ' ' LEU . 15.5 mt -64.71 -46.81 80.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.096 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -61.77 -36.25 72.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.93 -40.95 71.76 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.792 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -83.15 -37.26 23.95 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 77.2 m-85 -106.76 -7.65 17.14 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.51 154.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' Q' ' 62' ' ' GLU . 1.4 mp0 -55.43 -36.52 66.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.297 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.12 -52.32 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . 0.462 ' OH ' ' CZ ' ' Q' ' 33' ' ' ARG . 6.0 t80 -76.55 -30.16 56.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.83 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.51 -58.09 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.02 -1.072 . . . . 0.0 108.561 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.87 -45.62 7.59 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.4 -35.41 77.44 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -69.49 -46.56 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.325 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -56.87 -47.47 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.205 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -49.78 -65.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.83 -31.61 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' Q' ' 23' ' ' PHE . 78.6 t -65.67 -52.79 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.286 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 35.7 mt -54.15 -38.91 66.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.8 mtt180 -67.16 -17.35 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 9.9 t0 -52.88 -34.13 53.18 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' Q' ' 76' ' ' MET . 2.7 mpp? -85.66 -134.31 0.06 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -132.16 66.82 1.54 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -113.39 51.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.587 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.82 -19.46 65.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.74 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.645 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 64.9 tt0 -97.99 -56.19 2.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.43 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -57.5 -54.55 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.591 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.62 -21.64 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -64.1 -35.42 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -65.96 -31.19 71.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.895 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.762 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.1 mm? -72.63 -43.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.858 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 13.6 tm0? -64.31 -12.53 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.054 179.801 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -90.59 -33.18 15.97 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.59 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -76.02 -43.84 42.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.2 -38.78 71.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -70.43 -48.8 54.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.102 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.4 92.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.28 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.21 -59.69 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.714 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.732 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.4 mt -55.16 -39.92 70.06 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.453 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -30.12 61.65 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.986 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.6 t -92.35 -42.97 13.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.33 -25.23 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.661 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -69.79 -24.55 63.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.296 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -85.09 -9.29 58.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.079 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.2 117.27 11.54 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.539 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -63.47 151.67 87.22 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.66 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -31.84 -49.26 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 123.403 2.736 . . . . 0.0 114.214 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -70.06 -29.48 66.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' Q' ' 16' ' ' THR . 48.8 mt-10 -78.06 -36.42 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.57 -49.58 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.829 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.67 -41.84 95.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.208 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -49.97 -57.2 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.147 0.498 . . . . 0.0 110.268 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.405 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 24.0 mtpp -56.55 -37.77 70.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.908 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -76.04 -41.38 51.02 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -63.69 -9.7 15.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.255 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' Q' ' 27' ' ' LEU . 0.9 OUTLIER -70.92 -36.61 72.75 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.229 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.2 25.67 23.06 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.222 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -121.04 -55.01 2.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.828 0.347 . . . . 0.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . 0.532 ' O ' HG13 ' Q' ' 30' ' ' VAL . 7.7 p -61.64 122.62 72.42 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . 0.463 ' C ' HD22 ' Q' ' 32' ' ' LEU . 84.9 Cg_exo -42.79 147.46 0.62 Allowed 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 122.104 1.869 . . . . 0.0 113.356 -179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.463 HD22 ' C ' ' Q' ' 31' ' ' PRO . 4.5 mm? -117.03 142.98 46.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.555 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 2.6 mpt_? -66.21 -175.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -80.84 100.4 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.07 -10.15 0.75 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 157.71 43.27 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.183 0.516 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -133.92 -177.29 4.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 145.03 56.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.84 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.738 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.5 mm -81.71 128.98 67.15 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.46 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . 0.421 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 30.0 Cg_exo -36.62 112.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.159 1.906 . . . . 0.0 112.179 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -64.72 -17.94 64.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.776 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.18 -26.2 19.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.316 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.52 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.7 -16.24 45.69 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 122.609 -0.348 . . . . 0.0 111.702 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.738 HD21 HG21 ' Q' ' 39' ' ' ILE . 76.6 mt -65.62 2.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.969 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.07 -120.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -42.9 -1.01 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 90.3 mt -76.41 115.51 16.22 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.041 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 18.7 m-20 -83.05 166.95 18.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.189 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.732 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.62 -17.73 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.355 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.2 t -75.12 -65.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.102 0.477 . . . . 0.0 110.16 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -64.45 -35.72 81.85 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.529 ' N ' HD13 ' Q' ' 52' ' ' LEU . 50.9 m -71.79 -46.07 59.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.99 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 47.3 t0 -57.84 -44.13 86.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.006 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -55.28 -56.47 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.072 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.13 -47.86 72.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.316 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 41.3 t -59.89 -37.38 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.02 -42.94 65.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 30.8 t -79.8 -37.12 35.89 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.541 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 65.8 m-85 -104.14 -3.91 23.83 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.215 -0.303 . . . . 0.0 111.56 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.57 150.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.17 -38.93 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.433 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.02 -51.08 17.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -78.43 -26.7 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.933 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.64 -58.56 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.124 -1.03 . . . . 0.0 108.831 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.87 -43.12 8.57 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.726 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.07 -40.91 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.517 ' O ' HD23 ' Q' ' 68' ' ' LEU . 1.3 tt -67.65 -50.45 57.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.721 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.09 -49.0 80.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.536 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 10.0 t -51.11 -64.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.988 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.21 -29.87 15.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.481 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.3 t -68.3 -51.83 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.619 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.35 -40.47 86.53 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.503 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -55.57 -40.63 72.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.29 -28.8 69.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.827 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 32.8 mtt -84.84 23.73 1.15 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.49 33.39 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.556 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.0 mmt -113.89 68.4 0.69 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.16 -38.97 72.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.207 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -64.3 -47.36 79.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.043 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -59.67 -55.35 35.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.207 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.536 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.59 -32.72 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.4 77.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mmt-85 -67.06 -30.2 70.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.33 -51.46 36.76 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -54.81 -11.59 0.64 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.705 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 . . . . . 0 C--N 1.328 -0.351 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.678 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.8 m -89.95 -37.69 14.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -74.71 -45.87 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.62 -30.36 60.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.98 -47.46 20.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.838 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.64 90.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.53 -63.97 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.736 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.5 mt -53.13 -36.69 61.06 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.808 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -54.47 -38.98 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.513 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -35.95 9.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.872 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.73 -37.93 86.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.978 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -64.03 -21.11 66.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.737 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -85.78 -10.61 55.23 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.29 117.0 13.39 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.536 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 12.4 p -62.99 149.0 91.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.395 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -33.71 -36.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.997 2.465 . . . . 0.0 113.601 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.86 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.681 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' Q' ' 16' ' ' THR . 40.4 mt-10 -74.98 -35.68 62.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.241 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.91 -42.28 97.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -61.92 -51.31 68.67 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.843 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -41.16 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.64 -53.55 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.125 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.409 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 78.7 mttt -56.65 -40.02 74.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.174 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -45.97 50.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.689 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 31.9 mmtm -65.28 -8.69 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.715 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -71.5 -28.93 64.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 109.394 178.109 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.04 34.16 5.11 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.343 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 45.5 p -121.49 -44.32 2.36 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . 0.417 HG23 ' H ' ' Q' ' 30' ' ' VAL . 16.9 t -57.08 136.14 80.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . 0.455 ' O ' HD12 ' Q' ' 32' ' ' LEU . 20.9 Cg_endo -59.7 150.69 75.27 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.171 1.247 . . . . 0.0 112.026 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.455 HD12 ' O ' ' Q' ' 31' ' ' PRO . 6.3 mp -116.55 122.01 43.44 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.65 175.94 3.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.271 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.28 98.98 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.57 -20.36 1.03 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.91 137.02 48.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.281 0.562 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 16.9 mp0 -99.54 175.57 5.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.718 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.9 -179.72 0.22 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.762 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.428 HG21 HD21 ' Q' ' 44' ' ' LEU . 33.0 mm -106.15 103.43 45.04 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' Q' ' 39' ' ' ILE . 46.7 Cg_exo -39.51 111.79 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.489 1.459 . . . . 0.0 111.364 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -59.99 -27.9 67.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.028 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.85 -22.47 61.47 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.007 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -83.69 -14.99 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.9 0.35 . . . . 0.0 111.856 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' Q' ' 46' ' ' GLN . 73.7 mt -70.18 -50.61 38.41 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.692 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.05 19.78 3.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 21.8 tp60 -126.92 -41.58 1.8 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.848 0.356 . . . . 0.0 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.412 HD11 ' HB1' ' Q' ' 43' ' ' ALA . 14.9 mt -80.86 126.38 31.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.73 169.86 16.44 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.736 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.44 -24.6 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.45 -179.455 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 t -74.88 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 109.932 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.55 -29.46 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.775 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.9 -36.11 83.31 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.425 ' N ' HD13 ' Q' ' 52' ' ' LEU . 49.4 m -69.95 -45.26 67.82 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.91 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 76.7 m-20 -57.6 -43.17 84.49 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.503 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -56.96 -55.46 34.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.295 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -48.29 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.003 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.48 -37.35 77.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.0 -41.71 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -80.22 -38.62 30.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.728 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.54 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 80.9 m-85 -106.81 -2.88 20.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.33 153.34 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.7 -35.54 70.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.146 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.04 -51.82 14.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.56 -28.35 51.76 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.588 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.94 -58.81 6.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.406 -0.918 . . . . 0.0 108.812 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.412 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.67 -44.03 8.77 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.92 -40.75 98.56 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.631 ' O ' HG23 ' Q' ' 72' ' ' VAL . 1.6 tt -67.31 -49.13 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.586 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 83.2 t -56.85 -49.63 78.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.46 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 25.0 t -50.67 -62.45 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.5 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.631 HG23 ' O ' ' Q' ' 68' ' ' LEU . 87.9 t -68.74 -52.16 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.799 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.654 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 42.8 mt -55.89 -43.71 77.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.91 -41.06 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.499 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.41 27.97 0.57 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 59.14 33.76 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.576 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -122.12 67.66 0.93 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.54 -24.23 62.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.982 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' Q' ' 80' ' ' GLU . 5.5 mp0 -81.35 -48.31 12.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.404 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -58.15 -55.33 36.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.394 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -52.66 -29.01 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.784 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.28 -38.52 83.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -65.62 -31.33 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.739 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.479 ' N ' HD22 ' Q' ' 85' ' ' LEU . 3.8 mm? -72.84 -48.23 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -56.93 -12.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 179.522 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -91.06 -35.86 14.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -74.2 -45.3 49.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -54.56 -42.59 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.22 -47.69 78.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.071 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.68 94.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.147 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.23 -58.16 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.695 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.2 mt -54.95 -34.44 63.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.647 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -57.77 -39.92 78.58 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.848 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.24 -38.01 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.12 -35.71 77.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.201 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.57 -22.78 66.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.212 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -85.24 -8.91 58.32 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 120.899 0.38 . . . . 0.0 110.217 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.16 119.37 14.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.541 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.2 p -63.86 150.9 90.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.136 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -31.7 -48.58 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 123.212 2.608 . . . . 0.0 114.42 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -71.08 -29.22 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.785 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' Q' ' 16' ' ' THR . 93.8 mt-10 -77.87 -35.3 51.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.13 -50.19 71.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.07 -48.0 83.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.505 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -41.72 90.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.788 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 91.4 t80 -49.23 -49.79 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.272 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.77 -44.97 74.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.262 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 50.3 mtp -76.23 -41.9 47.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -63.04 -11.12 17.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.928 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.3 mt -72.87 -27.75 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.6 30.96 6.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.96 -46.14 1.98 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . 0.459 ' O ' HD22 ' Q' ' 32' ' ' LEU . 57.8 t -55.75 116.64 12.63 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.557 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -42.67 148.27 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.868 1.712 . . . . 0.0 112.012 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' NH2' ' Q' ' 38' ' ' ARG . 2.4 mm? -124.22 130.43 52.51 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.489 ' HD2' ' H ' ' Q' ' 33' ' ' ARG . 2.3 mpt_? -69.31 -175.36 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.703 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.9 98.84 4.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.29 -21.52 0.29 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.555 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -123.91 149.53 45.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 110.788 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.58 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.67 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' Q' ' 32' ' ' LEU . 4.5 tpm_? -65.14 160.91 20.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.472 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.875 HG21 HD21 ' Q' ' 44' ' ' LEU . 33.6 mm -87.42 119.55 70.84 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.617 -0.23 . . . . 0.0 110.493 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -40.32 117.68 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.853 1.702 . . . . 0.0 111.956 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -60.67 -22.93 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.294 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -23.59 48.77 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.237 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.17 59.22 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.894 0.347 . . . . 0.0 111.685 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.875 HD21 HG21 ' Q' ' 39' ' ' ILE . 96.4 mt -80.82 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.988 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.29 26.88 2.88 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -127.74 -42.6 1.6 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.11 0.481 . . . . 0.0 111.099 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.581 HD12 ' N ' ' Q' ' 47' ' ' LEU . 7.0 mp -84.98 137.66 32.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.54 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 3.9 m-20 -82.6 170.12 15.53 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.695 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.87 -20.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.157 -179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 5.1 t -74.69 -64.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.77 -27.59 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.787 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -64.83 -36.73 85.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.678 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.437 ' N ' HD13 ' Q' ' 52' ' ' LEU . 53.5 m -71.55 -46.98 57.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.229 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 15.1 t70 -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.326 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -57.57 -54.77 43.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.19 -48.46 73.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.28 0.562 . . . . 0.0 110.037 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.86 -37.84 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.083 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.29 -42.55 68.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -81.1 -36.43 30.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.552 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 46.9 m-85 -106.49 -4.72 19.47 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.552 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 79.14 150.0 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 -179.4 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -55.12 -40.48 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.664 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.71 -50.59 20.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.44 -28.79 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.977 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.09 -58.04 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.847 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.68 9.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.674 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.04 -39.69 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.51 -47.94 68.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.407 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 90.8 t -61.07 -47.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 4.6 t -51.97 -62.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.46 13.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.476 HG23 ' O ' ' Q' ' 68' ' ' LEU . 76.9 t -69.91 -52.11 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.244 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 38.9 mt -56.4 -44.05 79.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.794 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.4 -39.42 67.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -67.35 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.494 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.1 mmm -83.35 27.3 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 56.88 30.7 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.1 mmt -118.29 68.93 0.78 Allowed 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . 0.507 HD12 ' N ' ' Q' ' 79' ' ' LEU . 11.0 mp -71.4 -44.96 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.603 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 53.7 mt-10 -59.66 -43.79 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 111.294 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.59 -57.54 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.924 0.392 . . . . 0.0 110.964 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -55.27 -31.03 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -61.07 -38.88 87.79 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -65.86 -28.31 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.764 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.81 -45.03 72.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -55.41 -11.11 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.513 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.977 0.417 . . . . 0.0 110.319 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -90.78 -37.29 13.74 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -76.28 -45.59 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -58.01 -25.07 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.49 -48.22 10.53 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.28 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.1 -60.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.781 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.33 -40.97 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.675 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -54.8 -29.55 54.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.51 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -93.37 -42.17 12.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.54 -29.68 70.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.873 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.9 -21.48 64.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.13 -9.83 57.44 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.54 117.91 11.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' Q' ' 19' ' ' GLU . 2.4 p -65.56 150.92 95.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -31.7 -41.58 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 123.22 2.614 . . . . 0.0 113.695 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.89 -55.17 9.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.881 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 0.3 OUTLIER -60.27 -27.54 67.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.979 -178.541 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.11 -43.22 99.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -62.89 -51.14 68.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.701 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 88.9 t80 -49.45 -52.75 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.399 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -55.77 -45.2 78.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.543 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -75.75 -44.28 42.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.046 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 41.1 mmtt -62.52 -10.55 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.865 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.61 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.8 mt -74.82 -25.75 59.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 32.13 6.09 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.421 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 18.1 p -126.35 -42.35 1.84 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.64 117.07 16.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.82 145.41 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.75 1.634 . . . . 0.0 112.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.433 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.1 mm? -117.35 135.72 53.66 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' Q' ' 35' ' ' GLY . 42.7 mtp180 -66.7 173.09 3.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.023 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.07 13.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.526 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -119.31 -13.85 6.17 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 4.4 m-85 -132.62 160.25 37.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.285 0.564 . . . . 0.0 111.143 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -135.67 -177.11 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . 0.7 ' NH1' ' H ' ' Q' ' 41' ' ' ARG . 0.0 OUTLIER -64.09 154.22 35.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.904 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.787 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.4 mm -82.13 127.01 73.23 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -38.25 118.52 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.117 1.878 . . . . 0.0 111.744 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . 0.7 ' H ' ' NH1' ' Q' ' 38' ' ' ARG . 31.2 ptt85 -65.0 -27.43 68.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . 0.574 ' O ' ' NE2' ' Q' ' 46' ' ' GLN . . . -82.88 -24.85 51.68 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.429 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -83.66 -8.98 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.008 0.404 . . . . 0.0 111.737 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.787 HD21 HG21 ' Q' ' 39' ' ' ILE . 77.2 mt -73.26 -46.43 50.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.289 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.28 24.51 8.14 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' Q' ' 42' ' ' GLY . 2.3 mp0 -127.44 -43.91 1.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.775 0.321 . . . . 0.0 111.252 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' Q' ' 51' ' ' ASP . 11.5 mt -83.45 134.7 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.076 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.81 170.83 14.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -25.21 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.618 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -73.18 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.037 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' Q' ' 47' ' ' LEU . 23.5 m-20 -70.86 -29.6 65.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.019 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.77 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -65.52 -36.21 83.14 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.575 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.556 ' N ' HD13 ' Q' ' 52' ' ' LEU . 23.5 m -69.4 -48.69 60.3 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.96 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 11.1 t0 -54.94 -40.47 69.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.007 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -59.15 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.33 -51.54 59.92 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.466 0.651 . . . . 0.0 109.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -62.33 -36.07 72.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.136 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.67 -44.04 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.714 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 39.4 m -80.89 -39.15 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.53 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.9 m-85 -105.29 -4.34 21.73 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.77 151.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.98 -38.09 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.079 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 31.8 t70 -74.67 -51.82 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -78.33 -27.55 47.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.779 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.76 -58.4 8.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.634 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.84 -44.03 9.21 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.68 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' Q' ' 67' ' ' GLU . 0.3 OUTLIER -62.32 -39.77 94.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.234 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.93 -51.15 51.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.616 178.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 86.7 t -60.8 -48.91 86.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.646 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.512 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 11.1 t -50.05 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.379 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.34 25.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.447 HG23 ' O ' ' Q' ' 68' ' ' LEU . 52.9 t -70.08 -52.13 33.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.698 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 30.5 mt -56.26 -44.55 79.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.76 -38.13 69.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 0.0 110.01 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.6 -29.09 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 89.9 mmm -85.18 21.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.228 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 62.05 35.27 16.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.881 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.9 mmt -114.8 67.42 0.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . 0.573 HD12 ' N ' ' Q' ' 79' ' ' LEU . 9.6 mp -71.28 -31.51 67.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.348 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.52 -48.2 28.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.262 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -58.74 -57.12 14.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.41 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.512 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.28 -31.36 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.92 77.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.528 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -66.15 -28.38 68.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.837 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.26 -50.93 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.8 -19.16 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.755 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.397 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -89.59 -31.73 17.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.689 0.281 . . . . 0.0 110.366 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -75.2 -41.29 58.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.64 -48.22 72.53 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.07 -50.3 73.19 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.045 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 47.7 mt -63.17 -59.04 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.688 HD21 ' O ' ' Q' ' 49' ' ' ILE . 12.1 mt -55.89 -39.91 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.927 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.259 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -90.64 -42.08 13.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.86 -25.9 67.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.179 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.7 -24.32 64.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.206 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -81.42 -10.34 59.54 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.52 119.56 14.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.535 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -64.56 151.53 91.63 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -32.75 -49.88 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.974 2.449 . . . . 0.0 112.929 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -69.68 -35.96 75.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.469 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' Q' ' 16' ' ' THR . 21.2 mt-10 -71.7 -29.46 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.42 -43.33 96.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -60.83 -49.81 75.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.171 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -59.58 -39.64 84.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.724 -0.791 . . . . 0.0 109.423 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.517 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 51.0 t80 -49.72 -53.83 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 110.692 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 13.4 mtmt -57.18 -47.47 81.16 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.288 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.61 -43.97 45.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.399 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -59.73 -8.87 2.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.608 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -69.53 -34.18 73.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.399 0.619 . . . . 0.0 109.513 177.433 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.37 26.62 3.41 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.517 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 53.5 p -123.75 -44.86 2.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.07 115.68 12.94 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.375 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.45 144.4 1.23 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.879 1.719 . . . . 0.0 112.137 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -118.49 129.39 55.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -69.08 169.23 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.392 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' Q' ' 34' ' ' GLU . 30.6 mp0 -63.32 97.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.21 -34.66 1.0 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -108.02 147.84 30.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.282 0.563 . . . . 0.0 110.127 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -134.07 -177.12 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.729 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.43 160.06 20.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.577 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.84 126.88 76.7 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -38.8 123.87 0.83 Allowed 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.947 1.765 . . . . 0.0 112.054 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -47.86 -26.85 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.736 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.13 -9.99 64.85 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.93 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.476 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -85.21 -17.16 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 111.241 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.52 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 10.9 mt -76.17 -5.44 46.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.542 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -84.01 -124.37 1.09 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.756 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -41.08 -3.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 16.9 mt -81.32 112.89 19.03 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.038 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 68.7 m-20 -82.27 170.48 15.34 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.632 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.688 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.88 -17.36 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.53 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 3.8 t -77.31 -65.0 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -68.34 -33.49 74.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.82 -32.07 73.6 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 17.5 m -75.78 -43.78 44.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 7.2 m-20 -60.5 -44.41 96.02 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . 0.444 ' HZ3' ' CD1' ' Q' ' 47' ' ' LEU . 3.1 tppm? -58.67 -52.64 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.6 -47.24 79.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.01 -33.36 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.05 -45.03 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.091 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -80.21 -35.62 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 88.2 m-85 -105.22 -4.74 21.34 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 74.74 153.76 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.623 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.79 -35.9 66.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . 0.428 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 39.9 t0 -75.65 -53.83 7.94 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.64 -28.77 61.96 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.914 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.66 -59.0 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.975 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.419 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -43.05 -41.62 3.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.971 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' Q' ' 67' ' ' GLU . 0.4 OUTLIER -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 20.0 tp -67.83 -48.89 64.94 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.0 -50.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.556 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 24.9 t -50.61 -65.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.929 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -30.87 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 70.5 t -67.55 -53.46 31.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.598 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 40.0 mt -55.65 -35.39 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . 0.571 ' O ' ' O ' ' Q' ' 76' ' ' MET . 77.9 mtt180 -64.06 -36.29 83.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' Q' ' 74' ' ' ARG . 9.6 t70 -37.2 -32.08 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.669 0.747 . . . . 0.0 109.328 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 7.7 mmt -86.21 -132.53 0.06 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -137.97 66.04 1.46 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . 0.496 ' SD ' ' OE1' ' Q' ' 81' ' ' GLU . 22.5 mmt -117.78 58.67 0.8 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 113.452 -1.703 . . . . 0.0 109.274 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.95 -14.16 62.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 28.2 tt0 -98.12 -54.34 3.1 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.874 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . 0.496 ' OE1' ' SD ' ' Q' ' 78' ' ' MET . 8.7 mt-10 -57.99 -60.43 3.74 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -51.91 -23.99 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.353 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -66.95 -31.37 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.76 -28.94 69.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.2 -48.49 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.577 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -64.36 -25.29 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.376 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 N--CA 1.464 0.231 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.83 -179.507 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m -88.43 -35.51 17.03 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -75.95 -44.05 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -56.96 -21.9 33.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.67 -49.28 7.61 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.625 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.01 83.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.7 -62.15 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.533 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -41.9 70.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.332 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -29.73 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.625 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . 0.646 HG21 HD21 ' Q' ' 85' ' ' LEU . 39.4 t -93.28 -42.53 13.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.74 -29.0 69.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.578 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -69.16 -24.95 64.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.905 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -83.55 -9.39 58.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.871 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.2 118.32 12.88 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.537 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.3 p -63.78 152.1 87.39 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.62 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -32.3 -48.83 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 123.032 2.488 . . . . 0.0 113.563 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.58 -33.99 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.588 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' Q' ' 16' ' ' THR . 37.1 mt-10 -77.37 -30.55 53.8 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.643 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.94 -50.48 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.763 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -65.58 -39.19 91.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.22 -46.16 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.453 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 52.1 mttm -58.69 -46.36 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.079 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 19.3 mtt -76.92 -45.64 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.686 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -65.12 -12.2 48.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.252 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.504 ' CD2' HD21 ' Q' ' 56' ' ' LEU . 14.5 tp -77.26 -36.62 54.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.4 37.31 3.46 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -126.69 -38.43 2.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.591 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.41 135.8 91.69 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.108 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . 0.614 ' C ' HD22 ' Q' ' 32' ' ' LEU . 54.8 Cg_endo -69.17 151.16 72.45 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.217 1.278 . . . . 0.0 109.912 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.614 HD22 ' C ' ' Q' ' 31' ' ' PRO . 4.4 mm? -115.38 149.06 38.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.392 0.615 . . . . 0.0 110.987 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.546 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 8.0 mpt_? -69.17 -168.81 0.16 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.826 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 66.5 mm-40 17.14 -98.51 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.009 0.818 . . . . 0.0 112.308 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.25 85.92 0.12 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.528 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -99.83 155.09 17.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 6.4 mp0 -88.98 144.48 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 111.109 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.34 -173.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.485 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.588 HG21 HD21 ' Q' ' 44' ' ' LEU . 8.0 mm -100.11 103.03 20.13 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -39.41 122.37 0.87 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.713 1.609 . . . . 0.0 111.762 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -57.46 -66.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.641 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.23 -23.02 0.4 Allowed Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.214 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.88 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -85.01 -13.8 49.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.05 0.425 . . . . 0.0 112.088 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.588 HD21 HG21 ' Q' ' 39' ' ' ILE . 34.2 mt -72.0 -5.03 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.835 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.57 -115.51 0.02 OUTLIER Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.724 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -50.83 6.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.88 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.2 mp -79.49 102.98 9.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.39 0.541 . . . . 0.0 111.667 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' Q' ' 48' ' ' ASP . 1.7 m-20 -82.85 172.39 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.463 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -50.26 -19.64 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.081 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.03 -62.35 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.366 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.05 -32.76 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.93 -32.71 74.56 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 4.9 m -74.43 -48.83 25.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.672 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 4.8 m-20 -59.54 -45.5 91.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.694 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -58.56 -39.52 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' Q' ' 27' ' ' LEU . 10.0 mt -67.56 -54.69 17.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.235 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.9 -32.24 57.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.591 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -50.26 39.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.3 m -79.85 -31.52 40.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.533 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 97.9 m-85 -107.17 -9.04 16.24 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.533 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.6 OUTLIER 82.57 148.3 0.08 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.069 0.461 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.87 -48.52 64.01 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.816 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.47 -49.53 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . 0.531 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 4.6 t80 -76.19 -28.68 57.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.997 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.54 -56.97 14.94 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 118.664 -1.215 . . . . 0.0 108.523 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.08 -44.32 10.23 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.895 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.76 -34.54 74.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.9 OUTLIER -71.28 -49.9 38.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.68 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -50.62 -48.66 26.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.735 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 41.8 t -50.59 -66.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.817 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.94 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' Q' ' 75' ' ' ASP . 85.5 t -65.83 -51.9 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.466 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 48.4 mt -53.75 -37.74 63.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 95.7 mtt180 -68.52 -15.41 63.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' Q' ' 72' ' ' VAL . 18.1 t0 -54.49 -32.9 58.83 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . 0.465 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 8.0 mmt -86.8 -134.48 0.07 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 104.056 -2.572 . . . . 0.0 104.056 174.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . 0.452 ' CZ ' ' O ' ' Q' ' 76' ' ' MET . 12.6 mmp_? -132.46 68.27 1.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 177.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 26.2 mmt -111.11 49.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.471 -1.695 . . . . 0.0 109.611 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.32 -22.56 66.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.354 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 35.9 tt0 -97.32 -55.26 2.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.92 -56.47 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.443 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -54.81 -20.64 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -65.94 -36.38 83.21 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -64.5 -30.3 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.264 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.646 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.1 mm? -74.86 -45.0 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.151 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -68.39 -6.99 27.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.117 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -87.13 -38.11 16.75 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -76.27 -43.37 42.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.43 -43.8 75.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.86 -49.64 71.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.076 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.46 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.022 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.77 -58.64 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.688 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.694 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.4 mt -55.82 -40.78 73.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.456 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -56.62 -30.13 62.92 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.381 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -92.0 -42.53 13.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.33 -26.14 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.07 -25.2 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.568 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -82.46 -9.39 59.45 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.68 116.21 12.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.463 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.45 154.93 86.79 Favored Pre-proline 0 C--N 1.321 -0.671 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.22 -178.183 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -32.82 -43.19 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 123.716 2.944 . . . . 0.0 114.459 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.62 -43.04 73.52 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.02 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 38.8 mp0 -71.14 -31.71 68.06 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.506 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -61.41 -45.85 92.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -63.9 -48.61 75.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -40.03 96.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.62 ' O ' HD13 ' Q' ' 27' ' ' LEU . 67.6 t80 -47.33 -48.2 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -58.1 -40.81 82.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ttt -76.62 -48.01 20.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.897 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.75 -9.88 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.03 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.62 HD13 ' O ' ' Q' ' 23' ' ' PHE . 0.3 OUTLIER -75.76 -38.04 58.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.357 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.46 28.36 9.18 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.4 m -120.85 -50.18 2.18 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . 0.499 ' O ' HG13 ' Q' ' 30' ' ' VAL . 4.0 p -61.41 119.3 45.32 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -38.59 150.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.165 1.91 . . . . 0.0 113.075 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -119.9 134.38 55.26 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.586 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -68.55 165.72 18.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -64.7 103.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.39 -17.44 1.15 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.3 m-85 -127.45 155.0 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -129.75 -177.57 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.853 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.17 168.82 6.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.819 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' Q' ' 39' ' ' ILE . 14.9 mm -82.53 116.31 63.08 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -38.57 126.45 1.04 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.72 1.613 . . . . 0.0 111.974 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.39 -41.28 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.023 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.47 -18.58 77.11 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.57 -9.44 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.58 3.58 9.21 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.724 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -85.64 -129.0 2.17 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.56 -0.746 . . . . 0.0 113.26 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' Q' ' 46' ' ' GLN . 2.0 mm100 -45.86 3.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 9.2 mp -74.4 104.99 5.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.867 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 26.4 m-20 -82.68 168.24 17.44 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.694 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.66 -18.67 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.78 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 30.1 t -76.03 -65.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -69.51 -31.9 70.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.762 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.405 ' O ' HD12 ' Q' ' 56' ' ' LEU . 18.5 tp -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 15.6 m -72.05 -43.56 64.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 13.3 t70 -59.33 -46.69 87.92 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.748 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -57.91 -46.89 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.475 HD21 HD23 ' Q' ' 27' ' ' LEU . 11.1 mt -67.21 -51.21 56.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.352 0.596 . . . . 0.0 110.077 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.07 -35.69 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.531 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -44.16 68.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.036 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 71.2 m -79.15 -38.31 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.504 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 92.6 m-85 -103.95 -0.88 28.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.158 -0.339 . . . . 0.0 111.77 -178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 73.52 150.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.72 -42.7 71.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -72.54 -51.12 21.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -78.35 -25.38 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.798 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.45 -57.24 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.568 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.66 12.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.811 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.15 -42.09 98.92 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.587 ' O ' HG23 ' Q' ' 72' ' ' VAL . 4.9 tt -67.96 -51.45 47.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.997 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 88.5 t -56.15 -49.68 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.571 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 7.2 t -51.42 -61.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.59 -30.2 29.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.587 HG23 ' O ' ' Q' ' 68' ' ' LEU . 91.2 t -68.07 -51.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.016 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 59.1 mt -56.47 -42.83 78.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -57.26 -40.5 77.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.34 -27.32 67.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.718 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtp -85.29 22.97 1.37 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 60.54 32.89 20.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.239 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.5 mmt -120.58 70.93 0.9 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.61 -42.2 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.89 -48.48 78.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.539 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.2 -56.18 25.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 111.057 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.571 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -57.66 -32.21 67.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.86 81.69 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.8 mmt-85 -66.52 -27.41 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.42 -45.17 69.8 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.55 -17.32 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.118 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 27.8 m -92.9 -37.26 12.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.078 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -76.26 -46.97 25.5 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -56.31 -29.12 60.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.02 -46.58 13.75 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.237 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.34 77.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.007 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.81 -57.18 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.136 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.98 -35.66 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.705 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.58 -40.21 74.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.7 -39.66 13.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.0 -35.27 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.798 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.76 -21.7 66.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.768 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -83.8 -10.22 58.23 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.66 119.59 15.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -63.49 152.12 86.28 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -32.23 -39.97 0.1 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 123.093 2.529 . . . . 0.0 112.64 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.52 -54.67 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.651 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.49 -28.49 69.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.764 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.1 -44.47 97.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -65.02 -50.1 67.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.944 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -61.57 -38.59 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 56.5 t80 -47.98 -49.42 30.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.533 . . . . 0.0 109.939 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.615 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 81.2 mttt -56.48 -45.33 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.347 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.6 mmt -76.41 -48.76 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.584 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -60.73 -10.97 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 7.4 mt -72.33 -25.16 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.611 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.13 28.17 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 80.7 p -120.22 -48.11 2.34 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -53.5 134.56 53.51 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.825 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.71 148.39 71.63 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.543 1.495 . . . . 0.0 111.22 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.472 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.5 mm? -113.29 134.51 54.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.331 0.586 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 2.0 mpt_? -68.46 176.28 2.95 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.645 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 37.2 mt-10 31.5 -95.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.343 0.402 . . . . 0.0 111.452 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' Q' ' 33' ' ' ARG . . . -167.78 88.61 0.1 OUTLIER Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.19 166.06 11.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.163 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.29 140.75 29.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.396 0.617 . . . . 0.0 111.386 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' Q' ' 38' ' ' ARG . 14.1 mmt180 -64.61 -146.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.809 HG21 HD21 ' Q' ' 44' ' ' LEU . 38.7 mm -133.02 99.0 15.29 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -37.24 123.02 0.42 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.305 2.003 . . . . 0.0 112.024 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.49 -21.61 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.049 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.19 -27.37 28.31 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.078 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -81.74 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.661 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.809 HD21 HG21 ' Q' ' 39' ' ' ILE . 72.6 mt -71.88 -46.13 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.186 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.67 19.99 8.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -127.91 -41.36 1.64 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.528 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.438 HD11 ' HB1' ' Q' ' 43' ' ' ALA . 16.1 mt -82.66 124.17 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -85.31 173.78 10.08 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -21.09 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.956 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.63 -65.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.178 0.513 . . . . 0.0 110.02 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -27.73 63.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -65.72 -34.53 78.42 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -72.38 -44.05 63.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.658 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -57.55 -45.46 85.09 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.325 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -56.79 -46.43 81.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.2 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.13 -52.01 32.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.436 0.636 . . . . 0.0 110.545 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.81 -36.94 78.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.883 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.02 -43.81 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 111.177 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -78.86 -36.84 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.55 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.1 m-85 -108.43 -1.23 20.04 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.62 152.5 0.13 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.748 -0.595 . . . . 0.0 109.823 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -55.76 -43.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' Q' ' 64' ' ' TYR . 3.2 p30 -74.32 -48.96 24.96 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' Q' ' 63' ' ' ASP . 1.8 t80 -74.31 -30.13 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -60.84 -57.59 12.01 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.653 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.549 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.09 -40.98 7.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.753 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 3.3 tt -66.53 -47.0 74.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.442 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.9 t -59.02 -50.0 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.984 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.549 HG23 ' O ' ' Q' ' 66' ' ' ALA . 48.6 t -50.68 -62.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.104 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.92 -32.1 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.425 HG23 ' O ' ' Q' ' 68' ' ' LEU . 54.2 t -65.82 -50.14 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.674 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 47.0 mt -57.18 -43.61 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -55.03 -40.23 70.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.224 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.83 -30.71 70.96 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 33.5 mtm -84.59 30.09 0.57 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.046 0.45 . . . . 0.0 110.628 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? 52.76 28.92 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.261 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -110.37 68.85 0.68 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.13 -40.12 75.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.403 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.4 -50.45 69.81 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.15 -56.29 23.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -58.03 -37.89 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.05 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.84 -29.18 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.636 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.9 tt -70.06 -43.22 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.116 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.93 -13.35 6.17 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.331 -0.202 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -92.09 -39.69 11.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.686 0.279 . . . . 0.0 111.048 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -72.79 -45.52 58.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.33 -35.62 65.37 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.07 -45.64 48.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.993 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.22 94.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.124 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.0 -59.73 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.4 -35.61 63.05 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.574 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . 0.41 ' O ' ' OD1' ' Q' ' 14' ' ' ASN . 5.1 mptt -56.58 -39.6 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 m -87.72 -38.65 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.56 -37.2 82.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.558 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.52 -22.38 66.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' Q' ' 10' ' ' LYS . 2.2 m120 -83.08 -10.83 58.49 Favored 'General case' 0 CA--C 1.513 -0.461 0 C-N-CA 120.521 -0.471 . . . . 0.0 109.758 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.3 mt -71.59 118.0 13.86 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.83 155.01 90.81 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -30.86 -48.46 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 123.482 2.788 . . . . 0.0 113.846 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -49.17 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' Q' ' 19' ' ' GLU . 20.6 mp0 -67.45 -29.93 69.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.18 -52.65 64.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.73 -48.15 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.524 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -61.95 -38.9 90.23 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.062 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 73.0 t80 -50.86 -46.44 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.213 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.508 ' NZ ' ' CB ' ' Q' ' 24' ' ' LYS . 5.1 mtmp? -58.96 -49.81 76.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.708 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mtp -69.93 -42.68 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.366 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -66.61 -7.91 23.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' Q' ' 27' ' ' LEU . 11.6 tp -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.405 0.621 . . . . 0.0 110.04 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 38.47 3.11 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -129.29 -40.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.153 0.501 . . . . 0.0 109.857 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.52 114.81 9.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.356 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -46.86 148.54 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.649 1.566 . . . . 0.0 111.604 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.454 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.0 mm? -115.01 144.18 44.01 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.167 0.508 . . . . 0.0 111.007 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 80.1 mtt180 -67.76 -173.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.12 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 0.4 OUTLIER 14.67 -91.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.015 0.822 . . . . 0.0 112.263 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.97 81.82 0.12 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.642 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -97.72 161.4 13.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 7.2 mp0 -88.1 137.47 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.305 0.574 . . . . 0.0 110.662 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -60.8 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.8 111.97 57.67 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -40.13 126.43 1.93 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.03 1.82 . . . . 0.0 112.202 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -47.9 -21.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.39 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.36 -3.5 57.58 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.18 -12.82 42.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.753 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.48 ' C ' ' NZ ' ' Q' ' 24' ' ' LYS . 12.1 mt -77.85 -73.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.43 29.15 3.27 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.353 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -127.57 -40.0 1.8 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.991 0.424 . . . . 0.0 112.071 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.6 131.44 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' Q' ' 48' ' ' ASP . 0.8 OUTLIER -81.23 169.48 17.27 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -22.89 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.979 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.22 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.731 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.95 -29.86 69.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.754 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.9 OUTLIER -64.65 -34.99 79.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.684 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 44.3 m -73.3 -44.35 59.25 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.003 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 51.0 t0 -60.42 -40.45 91.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.318 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.48 -47.52 85.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.404 HD21 HD21 ' Q' ' 27' ' ' LEU . 16.7 mt -63.1 -50.1 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.584 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.45 -34.06 67.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.568 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.51 -42.89 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -82.67 -36.39 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.567 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.3 m-85 -110.66 -6.01 14.91 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.567 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 80.38 153.18 0.12 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.944 -0.473 . . . . 0.0 109.938 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -54.3 -37.02 64.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.12 -51.81 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -78.16 -30.73 49.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.098 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.73 -60.67 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.168 -1.013 . . . . 0.0 108.999 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.57 -44.45 12.85 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.22 -32.23 72.87 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -70.54 -49.44 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.153 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.83 -41.93 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.681 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.707 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 15.6 t -53.16 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.016 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.45 -30.41 2.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 90.3 t -66.13 -52.6 46.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.625 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.15 -40.06 76.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.5 mtt180 -67.43 -15.33 63.62 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.959 178.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 11.1 t70 -55.41 -33.31 63.41 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 41.4 mmm -86.06 -136.42 0.07 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.71 68.25 1.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -120.21 66.59 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.774 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . 0.416 ' N ' HD12 ' Q' ' 79' ' ' LEU . 10.3 mp -72.32 -15.66 61.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.07 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 8.3 mm-40 -92.82 -53.59 4.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.102 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.91 -54.54 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.891 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.707 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -53.52 -23.42 10.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -65.44 -37.99 88.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -63.56 -31.13 72.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.27 -48.41 65.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.64 -19.17 64.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 121.037 0.446 . . . . 0.0 110.319 -179.717 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -90.42 -35.33 15.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.405 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -74.64 -44.83 48.51 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -55.6 -40.76 72.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.57 -48.6 71.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.93 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.88 91.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.27 -59.42 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.066 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.727 HD21 ' O ' ' Q' ' 49' ' ' ILE . 10.8 mt -55.93 -40.11 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.15 -31.06 61.04 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.036 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.52 -41.95 13.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.03 -25.18 67.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.697 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.2 -22.89 63.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -84.98 -8.91 58.54 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.25 118.72 12.49 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.515 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 9.2 p -65.96 150.58 96.42 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.906 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -31.86 -49.45 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 123.541 2.827 . . . . 0.0 114.264 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -70.82 -31.16 67.81 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.652 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -77.81 -33.42 52.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . 0.63 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 48.9 tp -61.38 -49.34 77.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -60.93 -51.86 67.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.163 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -63.1 -40.81 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.322 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . 0.54 ' O ' HD13 ' Q' ' 27' ' ' LEU . 85.9 t80 -50.67 -60.38 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.63 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 41.7 mttp -48.19 -37.8 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.49 -41.21 33.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.957 0.408 . . . . 0.0 110.973 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -63.45 -9.26 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.185 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.777 HD21 HD11 ' Q' ' 56' ' ' LEU . 6.7 mp -67.14 -26.82 66.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.29 32.63 6.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -120.08 -51.79 2.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.222 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 2.9 t -57.08 127.76 76.51 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.118 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . 0.475 ' C ' HD12 ' Q' ' 32' ' ' LEU . 89.4 Cg_exo -43.06 147.97 0.62 Allowed 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.936 1.757 . . . . 0.0 112.76 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . 0.475 HD12 ' C ' ' Q' ' 31' ' ' PRO . 9.5 mp -123.3 117.02 24.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . 0.517 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 2.0 mpt_? -66.82 -177.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.335 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . 0.578 ' CD ' ' H ' ' Q' ' 34' ' ' GLU . 1.7 mp0 -66.23 127.19 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 -27.28 8.33 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -107.27 138.89 42.63 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 9.7 mp0 -122.28 174.01 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 149.76 46.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.357 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.508 ' CD1' HD23 ' Q' ' 27' ' ' LEU . 10.3 mt -83.96 129.17 59.96 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . 0.442 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 23.8 Cg_exo -37.62 116.16 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.171 1.914 . . . . 0.0 112.287 178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . 0.457 ' H ' ' HD3' ' Q' ' 41' ' ' ARG . 0.7 OUTLIER -70.49 -17.02 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.931 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.4 -27.75 14.57 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.263 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -81.72 -19.01 42.35 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.864 0.332 . . . . 0.0 111.323 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.442 HD21 HG21 ' Q' ' 39' ' ' ILE . 57.5 mt -66.27 4.21 0.76 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.191 -0.603 . . . . 0.0 109.871 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -66.21 -124.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.829 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' Q' ' 46' ' ' GLN . 15.4 mt-30 -47.55 6.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 91.6 mt -77.17 118.95 20.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 119.095 0.861 . . . . 0.0 110.575 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 15.2 m-20 -81.79 164.56 21.59 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.727 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.64 -18.57 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.279 -179.506 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 7.1 t -75.25 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.25 -31.85 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.948 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . 0.763 HD22 ' O ' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.56 -33.71 76.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.36 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . 0.667 ' N ' HD13 ' Q' ' 52' ' ' LEU . 16.8 m -70.72 -47.12 61.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.0 t70 -54.34 -42.2 69.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.094 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -58.32 -42.06 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.825 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.777 HD11 HD21 ' Q' ' 27' ' ' LEU . 11.1 mt -68.42 -54.4 17.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.437 0.637 . . . . 0.0 110.098 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.45 -33.11 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.647 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.89 -48.88 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.947 0.403 . . . . 0.0 111.589 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 46.4 m -78.59 -35.45 45.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.546 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 93.1 m-85 -107.62 -6.29 17.01 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.546 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.73 151.74 0.12 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -54.43 -40.42 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.0 -50.24 24.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . 0.517 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.3 t80 -79.24 -28.35 42.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.544 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.26 -62.24 1.98 Allowed 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.038 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.606 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.44 -44.81 8.73 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.4 OUTLIER -67.96 -53.37 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.431 178.721 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . 0.48 HG22 HD13 ' Q' ' 56' ' ' LEU . 48.2 t -59.64 -48.54 87.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.606 HG23 ' O ' ' Q' ' 66' ' ' ALA . 30.7 t -49.14 -62.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.311 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . 0.428 ' O ' ' OD2' ' Q' ' 75' ' ' ASP . . . -53.89 -28.77 38.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.438 HG23 ' O ' ' Q' ' 68' ' ' LEU . 69.3 t -68.13 -51.48 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 32.0 mt -58.36 -43.82 88.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.094 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -55.68 -40.03 71.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Q' ' 71' ' ' ALA . 14.0 m-20 -67.03 -27.59 67.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 74.4 mtp -84.52 28.68 0.64 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 56.14 28.42 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.395 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' Q' ' 81' ' ' GLU . 11.6 mmt -116.95 69.07 0.75 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . 0.493 HD12 ' N ' ' Q' ' 79' ' ' LEU . 10.6 mp -71.48 -42.78 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.569 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . 0.639 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 8.1 tp10 -62.59 -49.64 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 54.5 mp0 -58.78 -54.4 47.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.134 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -52.85 -31.7 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.404 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -63.74 -31.05 72.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.533 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.3 tt -69.57 -52.72 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.616 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -8.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.528 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -179.672 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.081 0 N-CA-C 112.836 -0.106 . . . . 0.0 112.836 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -87.22 -38.2 16.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 4' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' Q' ' 63' ' ' ASP . 73.3 mttt -75.88 -43.84 43.49 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.38 -32.61 66.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.91 -49.62 28.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.781 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.48 82.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.091 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mt -64.82 -60.02 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 9' ' ' LEU . . . . . 0.654 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.7 mt -56.03 -39.87 72.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.415 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -32.05 63.79 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.367 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 79.3 t -90.55 -41.0 13.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.04 -26.82 69.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.158 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.49 -24.07 63.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.656 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -84.34 -8.6 58.95 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.086 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.93 118.55 14.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 41.6 p -64.45 148.03 96.75 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.589 -178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -35.11 -38.54 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.215 0 C-N-CA 122.532 2.154 . . . . 0.0 112.883 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.19 -40.62 64.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.204 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.9 mt-10 -70.57 -29.18 65.55 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 20' ' ' LEU . . . . . 0.575 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 30.6 tp -62.25 -38.11 88.03 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -64.05 -50.87 66.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.296 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -63.98 -40.25 95.97 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.414 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -47.59 -49.42 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.185 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 24' ' ' LYS . . . . . 0.575 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 35.2 mttp -59.82 -49.25 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.85 -45.88 69.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.186 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -65.63 -8.2 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.144 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 27' ' ' LEU . . . . . 0.559 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -72.56 -33.94 67.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.643 0.735 . . . . 0.0 109.305 177.456 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 35.39 4.03 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.941 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -123.81 -42.33 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.56 118.7 33.56 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.837 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -42.9 144.95 1.26 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.894 1.73 . . . . 0.0 112.025 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -119.6 128.05 53.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.78 170.64 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.3 107.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.466 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.17 -37.39 1.77 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.65 147.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.204 0.526 . . . . 0.0 109.645 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -131.2 -176.74 4.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.218 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.29 159.05 13.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.687 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.652 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.9 mm -82.29 124.79 77.97 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.197 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -39.96 128.01 2.01 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.29 1.993 . . . . 0.0 112.492 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 41' ' ' ARG . . . . . 0.44 ' N ' ' CD ' ' Q' ' 41' ' ' ARG . 0.9 OUTLIER -71.42 -26.0 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.234 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 -27.35 37.77 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.438 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 43' ' ' ALA . . . . . 0.774 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -82.19 -13.25 57.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.278 0.539 . . . . 0.0 111.766 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 44' ' ' LEU . . . . . 0.652 HD21 HG21 ' Q' ' 39' ' ' ILE . 56.4 mt -71.85 0.76 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.759 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 45' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -69.87 -124.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.999 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -50.25 7.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 47' ' ' LEU . . . . . 0.774 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.4 mp -74.84 113.64 12.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.671 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 48' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 9.2 m-20 -81.75 166.55 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.075 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 49' ' ' ILE . . . . . 0.654 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -49.53 -17.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.054 -179.329 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Q' Q ' 50' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 14.6 t -75.85 -61.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.878 0.37 . . . . 0.0 110.023 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.71 -31.7 70.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -39.59 94.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 55.3 m -72.41 -45.32 60.25 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.168 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 54' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 14.2 t70 -58.59 -41.26 85.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.202 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -57.27 -56.73 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 56' ' ' LEU . . . . . 0.436 HD23 HD11 ' Q' ' 39' ' ' ILE . 19.5 mt -64.66 -46.99 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.88 -35.17 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 58' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.28 -45.72 65.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.718 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 -37.44 29.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 60' ' ' TYR . . . . . 0.539 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 69.2 m-85 -104.63 -6.96 19.99 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.098 0.408 . . . . 0.0 112.074 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 61' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.55 151.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.752 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.43 -34.7 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 63' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' Q' ' 4' ' ' LYS . 6.1 m-20 -74.17 -52.11 13.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -78.87 -30.26 44.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.764 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 65' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.3 -59.46 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.701 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 66' ' ' ALA . . . . . 0.795 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.33 -45.81 12.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.92 -35.73 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 68' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.3 OUTLIER -70.59 -54.97 9.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.043 178.188 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Q' Q ' 69' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 48.7 t -58.36 -51.11 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.711 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 70' ' ' VAL . . . . . 0.795 HG23 ' O ' ' Q' ' 66' ' ' ALA . 70.1 t -49.49 -62.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.395 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.88 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 72' ' ' VAL . . . . . 0.452 HG23 ' O ' ' Q' ' 68' ' ' LEU . 52.2 t -68.15 -50.84 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.099 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 73' ' ' LEU . . . . . 0.6 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 52.6 mt -57.01 -42.98 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.21 -40.8 82.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Q' ' 75' ' ' ASP . 33.1 t0 -64.24 -29.48 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.255 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 56.4 mtp -84.94 29.48 0.63 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 58.34 35.48 24.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.6 mtt -116.74 64.94 0.71 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 79' ' ' LEU . . . . . 0.479 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.6 mm? -69.45 -24.28 63.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.752 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -84.47 -53.76 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.442 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -56.88 -52.85 63.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.522 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 82' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -56.31 -31.73 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.376 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.02 98.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -64.47 -31.04 72.08 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 85' ' ' LEU . . . . . 0.591 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.6 tt -70.82 -47.37 59.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.929 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -6.07 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.452 -179.787 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . 0.467 ' O ' ' C ' ' Q' ' 2' ' ' GLY . 9.6 tpt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' Q' ' 1' ' ' MET . . . 17.75 101.04 0.0 OUTLIER Glycine 0 N--CA 1.471 1.017 0 O-C-N 124.045 0.84 . . . . 0.0 112.871 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 79.4 m -88.51 -39.36 14.24 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.783 0.325 . . . . 0.0 110.235 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' Q' ' 66' ' ' ALA . 22.5 mtpt -77.27 -43.12 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.5 -29.06 65.97 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.05 -49.79 12.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.558 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.96 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mt -62.43 -63.23 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.592 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.54 -39.41 70.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -28.65 56.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.224 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.25 -43.03 13.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.433 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.33 -28.4 69.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.179 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.37 -20.46 62.96 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.297 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.15 -9.69 54.61 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.68 117.25 13.02 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.518 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 3.2 p -65.84 150.82 95.99 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.766 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -32.2 -37.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 123.465 2.777 . . . . 0.0 114.179 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -73.78 -36.14 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.778 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' Q' ' 16' ' ' THR . 66.7 mt-10 -77.08 -33.27 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.944 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.32 -46.82 88.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -61.09 -51.02 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.805 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -62.35 -40.33 96.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.148 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 71.7 t80 -49.4 -51.35 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.098 0.475 . . . . 0.0 110.22 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 37.7 mttm -56.13 -50.01 72.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.53 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.83 -44.1 56.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.057 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.95 -11.02 15.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.761 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.492 HD13 HD21 ' Q' ' 56' ' ' LEU . 6.4 mt -74.58 -26.23 59.8 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.651 -0.82 . . . . 0.0 108.865 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 30.67 7.08 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -123.39 -45.15 2.1 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' Q' ' 32' ' ' LEU . 37.4 t -63.22 115.68 19.59 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.686 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . 0.451 ' C ' HD22 ' Q' ' 32' ' ' LEU . 76.0 Cg_exo -46.77 146.04 6.07 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.711 1.607 . . . . 0.0 111.833 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' Q' ' 30' ' ' VAL . 4.3 mm? -117.04 153.59 32.42 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.223 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -65.53 166.04 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' Q' ' 36' ' ' PHE . 50.8 mm-40 -32.86 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.88 1.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.582 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . 0.547 ' H ' ' C ' ' Q' ' 34' ' ' GLU . 16.2 m-85 -111.69 147.21 36.06 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.575 0.687 . . . . 0.0 109.984 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -137.71 -176.95 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.699 0.761 . . . . 0.0 111.328 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . 0.541 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -67.82 171.16 6.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.98 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.546 HD13 ' HZ2' ' Q' ' 55' ' ' LYS . 1.2 mm -80.24 122.25 82.64 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' HZ2' ' Q' ' 55' ' ' LYS . 55.5 Cg_exo -39.95 146.08 0.26 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 121.841 1.694 . . . . 0.0 111.872 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -57.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.114 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.19 -10.15 9.37 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.499 -0.381 . . . . 0.0 112.832 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.56 -9.58 57.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.288 0.544 . . . . 0.0 111.758 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.525 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 14.1 mt -79.31 -67.43 0.76 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.24 32.2 4.49 Favored Glycine 0 N--CA 1.468 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.691 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -126.86 -43.86 1.67 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.576 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.407 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 8.1 mt -82.48 135.54 35.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.788 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 172.14 13.23 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -25.17 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.448 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.08 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.203 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.11 -30.98 70.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.583 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.21 -36.19 82.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 21.8 m -72.12 -47.61 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.945 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 18.5 t70 -58.21 -45.2 88.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.035 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . 0.546 ' HZ2' HD13 ' Q' ' 39' ' ' ILE . 25.8 tptp -62.75 -39.03 92.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.492 HD21 HD13 ' Q' ' 27' ' ' LEU . 15.1 mt -70.0 -54.49 12.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.576 0.703 . . . . 0.0 109.353 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' Q' ' 61' ' ' TYR . 53.5 t -63.55 -41.36 92.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.499 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.31 -39.2 78.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.529 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 86.6 p -79.88 -36.73 36.16 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.534 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.1 m-85 -109.19 -3.86 16.96 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.551 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.56 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.083 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.99 -35.58 69.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.533 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -74.77 -51.85 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -78.21 -29.5 48.36 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.642 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.36 -59.36 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.794 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.415 ' HB3' ' NZ ' ' Q' ' 4' ' ' LYS . . . -45.51 -42.09 10.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.718 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.1 -42.97 96.71 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.476 ' O ' HG23 ' Q' ' 72' ' ' VAL . 20.4 tp -66.92 -47.66 71.05 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.307 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.0 -49.93 79.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.405 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.568 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 5.3 t -50.23 -62.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.14 28.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.476 HG23 ' O ' ' Q' ' 68' ' ' LEU . 87.5 t -68.71 -51.87 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.855 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 26.5 mt -55.54 -43.33 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -54.48 -38.56 66.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.032 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.65 -31.61 72.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 23.4 mtm -84.89 28.66 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.24 34.61 20.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.219 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mmm -120.01 65.83 0.82 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.65 -49.27 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.206 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 79.8 mt-10 -62.72 -44.62 95.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' Q' ' 81' ' ' GLU . 28.2 mp0 -59.07 -56.21 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.473 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.568 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -52.71 -26.86 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -63.74 -37.99 89.44 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -64.25 -28.0 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.84 -44.92 72.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -57.43 -17.74 14.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -87.87 -4.32 58.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.814 0.34 . . . . 0.0 110.165 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.53 48.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.533 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.19 -17.49 58.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 86.1 m -90.92 -29.77 17.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -76.52 -42.89 41.6 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.42 -45.24 76.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.57 -50.63 73.14 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.203 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.34 86.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.277 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.15 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.694 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.8 mt -54.27 -40.2 67.6 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.353 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -32.13 63.72 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.935 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.46 -42.1 14.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.94 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.666 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.97 -23.5 62.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.241 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -86.28 -9.61 56.14 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.102 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.8 114.79 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.471 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.91 156.98 82.15 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.658 -178.338 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -32.43 -46.97 0.28 Allowed 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.829 3.019 . . . . 0.0 115.05 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' Q' ' 18' ' ' GLU . 26.9 mp0 -70.27 -35.94 74.09 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.508 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 57.6 mp0 -75.43 -32.18 60.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.26 -48.31 80.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -63.18 -46.61 86.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.382 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -67.53 -42.49 82.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 86.6 t80 -45.98 -53.79 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.45 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 40.6 mttm -57.81 -38.83 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.605 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 8.9 ttm -77.84 -46.99 19.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -62.8 -11.37 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.951 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.601 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.2 mt -73.98 -33.93 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.24 28.4 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.5 m -125.67 -50.76 1.61 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 110.119 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . 0.476 ' O ' HG13 ' Q' ' 30' ' ' VAL . 9.2 p -61.26 122.23 68.65 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.599 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -39.34 147.52 0.15 Allowed 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.581 2.188 . . . . 0.0 113.951 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.522 HD22 ' N ' ' Q' ' 32' ' ' LEU . 3.4 mm? -106.89 137.94 44.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.456 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 69.6 mtt180 -69.36 -178.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.879 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 24.3 mm-40 25.29 -94.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.74 0.65 . . . . 0.0 111.973 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.74 82.15 0.11 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -100.94 159.48 15.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -96.8 145.89 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.29 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -64.05 164.31 10.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.716 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.728 HG21 HD21 ' Q' ' 44' ' ' LEU . 3.2 mm -83.51 125.54 73.6 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.057 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . 0.452 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 26.0 Cg_exo -37.77 116.61 0.21 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.915 1.743 . . . . 0.0 111.773 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.33 -17.15 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.869 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.11 -26.15 13.02 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.301 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.27 -8.65 59.42 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.971 0.385 . . . . 0.0 111.288 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.728 HD21 HG21 ' Q' ' 39' ' ' ILE . 60.8 mt -68.34 4.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.425 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -70.97 -127.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.787 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -49.7 7.04 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 65.2 mt -79.74 118.59 21.68 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.459 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.44 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 1.1 m-20 -83.24 169.95 15.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.694 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.35 -16.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.7 t -75.03 -63.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.407 . . . . 0.0 110.402 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.75 -32.01 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.075 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.756 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -64.1 -36.3 83.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.539 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.563 ' N ' HD13 ' Q' ' 52' ' ' LEU . 41.7 m -71.61 -44.02 65.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.178 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 9.9 t70 -59.13 -40.69 86.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.745 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -59.21 -57.38 13.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.412 HD11 HD13 ' Q' ' 27' ' ' LEU . 28.8 mt -61.59 -48.04 82.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.358 0.599 . . . . 0.0 110.208 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 23.9 t -61.69 -34.41 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.87 -46.05 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -81.3 -37.9 27.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.549 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 71.5 m-85 -102.15 -6.97 22.62 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.068 -0.395 . . . . 0.0 111.752 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 80.54 147.77 0.09 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 110.946 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 32.1 mp0 -52.14 -48.55 64.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.35 -47.09 58.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -175.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -81.05 -28.32 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.042 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.87 -57.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 118.943 -1.103 . . . . 0.0 108.626 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.709 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.63 -47.6 10.45 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.58 -39.33 80.05 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -68.42 -50.0 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.47 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 61.3 t -60.62 -49.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.243 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.709 HG23 ' O ' ' Q' ' 66' ' ' ALA . 69.0 t -49.67 -61.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.63 51.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.446 HG23 ' O ' ' Q' ' 68' ' ' LEU . 53.9 t -66.18 -50.86 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.534 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.563 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 32.7 mt -58.32 -41.55 84.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -57.48 -40.8 79.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 109.885 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.87 -27.39 67.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mmm -83.84 22.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.343 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 60.5 32.79 20.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.223 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtp -113.81 64.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.47 -27.09 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.436 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' Q' ' 80' ' ' GLU . 10.4 mp0 -80.43 -50.45 10.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 111.201 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.49 -53.42 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.371 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -56.59 -34.66 67.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.298 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.13 99.46 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -64.07 -29.03 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.592 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.7 tt -71.14 -48.04 54.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.082 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -58.18 -9.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.698 0.285 . . . . 0.0 111.48 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 39.6 mtp180 -88.79 3.57 50.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.649 0.261 . . . . 0.0 110.422 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.93 40.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptt? . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.04 93.6 1.82 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 80.1 m -89.81 -39.35 13.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -74.65 -46.88 35.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -56.51 -31.51 64.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -78.24 -47.05 18.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.432 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.45 92.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.33 -62.39 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.623 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.626 HD21 ' O ' ' Q' ' 49' ' ' ILE . 12.1 mt -53.61 -40.14 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.43 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -54.97 -30.87 60.12 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.525 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -91.85 -43.67 14.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.434 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.19 -25.49 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 109.31 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.4 -22.51 63.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.578 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -83.86 -9.7 58.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.85 116.88 12.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -66.17 151.81 95.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -31.08 -42.54 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.533 2.822 . . . . 0.0 113.858 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' Q' ' 18' ' ' GLU . 19.5 mp0 -69.85 -55.12 10.63 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.754 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 13.3 mp0 -60.24 -27.72 67.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.001 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . 0.559 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 28.0 tp -62.26 -42.67 99.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.32 -53.34 54.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.561 -1.199 . . . . 0.0 111.363 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -63.07 -40.76 98.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.546 ' O ' HD13 ' Q' ' 27' ' ' LEU . 88.9 t80 -49.11 -58.13 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.288 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.559 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 44.7 mttp -51.59 -37.25 49.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.445 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 48.1 mtp -78.86 -39.47 35.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.964 0.411 . . . . 0.0 110.401 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -65.93 -8.75 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.081 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.859 HD21 HD11 ' Q' ' 56' ' ' LEU . 6.0 mp -67.58 -27.72 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.31 31.25 6.49 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.418 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -121.09 -47.37 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.01 0.433 . . . . 0.0 109.868 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.68 118.43 19.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.46 144.84 1.83 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.661 1.574 . . . . 0.0 111.637 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.53 131.81 56.64 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.533 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 0.1 OUTLIER -69.85 176.22 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.8 99.17 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.53 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.72 -23.74 1.04 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 3.4 m-85 -121.75 154.13 37.34 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -135.08 -176.91 4.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.488 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -62.55 156.88 21.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.616 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.637 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.5 mm -82.26 130.08 61.07 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.701 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 42.7 Cg_exo -40.01 117.58 0.44 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.706 1.604 . . . . 0.0 111.671 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -67.9 -28.05 67.17 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.148 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.93 -27.84 48.45 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.565 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.02 -13.09 56.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.32 0.56 . . . . 0.0 112.01 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.637 HD21 HG21 ' Q' ' 39' ' ' ILE . 58.5 mt -69.3 6.48 1.0 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.917 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -72.2 -126.13 0.08 OUTLIER Glycine 0 CA--C 1.532 1.132 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.047 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . 0.406 ' HG3' ' H ' ' Q' ' 46' ' ' GLN . 23.2 mt-30 -45.55 5.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 78.8 mt -78.91 118.9 21.36 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.282 0.946 . . . . 0.0 111.032 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 2.1 m-20 -82.1 167.06 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.443 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.626 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.83 -19.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.041 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 61.2 t -74.58 -62.82 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 1.5 m-20 -68.54 -32.84 73.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.084 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.798 HD22 ' O ' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.27 -33.99 77.08 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.14 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.713 ' N ' HD13 ' Q' ' 52' ' ' LEU . 23.9 m -72.86 -46.2 54.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 9.9 t70 -56.47 -39.77 73.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.846 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -58.1 -53.38 58.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.859 HD11 HD21 ' Q' ' 27' ' ' LEU . 13.4 mt -63.3 -49.39 74.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.18 0.514 . . . . 0.0 109.71 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.66 -35.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.33 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.45 -46.07 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 111.081 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 24.3 p -81.76 -36.0 29.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.9 m-85 -107.28 -3.35 19.81 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.296 0.498 . . . . 0.0 112.302 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.9 152.63 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 110.025 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -54.45 -43.75 71.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.56 -49.97 28.77 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . 0.533 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.2 t80 -78.77 -28.87 44.79 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.157 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.84 -58.21 9.37 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.664 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.488 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.25 -43.74 10.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.825 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.37 -39.6 91.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 4.5 tt -68.56 -50.81 48.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.82 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.54 -47.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.536 ' CG1' ' HE ' ' Q' ' 74' ' ' ARG . 22.3 t -49.79 -63.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.64 -27.56 17.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.429 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.6 t -69.49 -52.9 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.639 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 46.3 mt -55.36 -44.1 75.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.79 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . 0.536 ' HE ' ' CG1' ' Q' ' 70' ' ' VAL . 93.3 mtt-85 -57.16 -38.93 74.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.433 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' NE ' ' Q' ' 77' ' ' ARG . 37.6 t70 -65.2 -30.17 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.041 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 43.8 mtm -83.71 26.37 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . 0.708 ' HE ' ' H ' ' Q' ' 77' ' ' ARG . 0.0 OUTLIER 58.42 36.02 25.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.8 mmt -120.19 68.09 0.84 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . 0.508 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.5 mm? -68.96 -21.55 64.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.995 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 38.5 mt-10 -82.4 -47.37 12.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.588 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -58.24 -57.86 11.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.9 -31.1 48.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.265 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.83 -45.63 93.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.34 -28.33 69.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.615 ' O ' HD23 ' Q' ' 85' ' ' LEU . 2.2 tt -71.08 -46.48 61.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.143 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 8.2 tm0? -57.69 -12.6 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . 0.47 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 74.5 mtp180 -87.36 -0.15 56.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.379 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.32 41.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' Q' ' 1' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.74 -10.88 82.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.4 m -94.03 -35.97 12.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.683 0.278 . . . . 0.0 110.356 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -75.17 -45.36 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -57.89 -25.5 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -49.78 8.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.812 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.53 -62.73 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.687 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.34 -39.42 69.99 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -55.89 -32.31 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.787 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . 0.734 HG21 HD21 ' Q' ' 85' ' ' LEU . 31.9 t -90.49 -42.04 13.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.222 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.69 -28.11 69.17 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.689 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.23 -21.38 64.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.208 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' Q' ' 14' ' ' ASN . 1.8 m-20 -84.16 -11.62 56.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.87 117.67 13.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.549 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 75.4 p -65.64 147.46 98.69 Favored Pre-proline 0 C--N 1.32 -0.707 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.55 -178.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -33.99 -39.21 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.926 2.417 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' Q' ' 18' ' ' GLU . 20.5 mp0 -73.53 -38.21 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.21 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' Q' ' 16' ' ' THR . 34.4 mt-10 -71.27 -30.65 66.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.168 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.06 -38.73 87.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -63.63 -52.86 58.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.339 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -65.08 -40.88 95.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.407 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 87.3 t80 -47.74 -62.29 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.436 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -54.06 -36.4 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.808 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.1 ttt -74.23 -42.27 60.0 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -65.54 -8.49 20.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.68 -21.39 66.1 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.039 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.79 28.78 10.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 17.2 m -118.13 -50.17 2.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 4.9 t -59.11 121.1 52.97 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.165 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . 0.469 ' C ' HD12 ' Q' ' 32' ' ' LEU . 88.1 Cg_exo -40.92 147.56 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.007 1.805 . . . . 0.0 112.567 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' Q' ' 30' ' ' VAL . 8.0 mp -116.96 126.61 53.19 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -68.91 168.31 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.61 92.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.677 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.79 -17.46 0.56 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -117.81 147.38 43.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.288 0.566 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -121.34 179.41 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.362 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -67.1 169.64 8.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' Q' ' 39' ' ' ILE . 23.2 mm -83.59 114.95 56.97 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -37.82 125.36 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.786 1.657 . . . . 0.0 111.797 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -58.44 -41.07 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.253 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.13 -24.8 76.68 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.749 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.576 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -82.6 -7.01 59.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.37 6.81 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.318 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -76.35 -121.28 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.819 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -51.16 12.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.576 HD12 ' O ' ' Q' ' 43' ' ' ALA . 27.8 mt -72.39 97.98 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.15 166.91 20.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -22.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.457 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.44 -60.08 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.214 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.34 -33.23 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.76 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.4 -36.52 84.4 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.407 ' N ' HD13 ' Q' ' 52' ' ' LEU . 19.3 m -71.52 -48.1 51.0 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.899 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.7 t70 -57.14 -42.23 80.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.713 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -57.33 -54.65 44.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.954 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.64 -48.75 75.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.48 -35.06 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.42 -44.55 67.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -81.99 -37.48 26.56 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.542 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 84.3 m-85 -106.95 -6.22 17.68 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.73 152.9 0.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' Q' ' 62' ' ' GLU . 50.5 mp0 -57.46 -35.18 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.58 -52.32 13.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.7 -29.8 45.65 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.776 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.68 -60.5 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.889 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.463 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.11 -45.82 11.41 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.21 -38.35 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.57 ' O ' HD23 ' Q' ' 68' ' ' LEU . 2.5 tt -68.15 -48.79 64.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.568 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 93.7 t -56.04 -47.17 80.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.21 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.463 HG23 ' O ' ' Q' ' 66' ' ' ALA . 29.5 t -48.04 -64.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.389 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.76 -29.88 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.5 HG23 ' O ' ' Q' ' 68' ' ' LEU . 61.9 t -68.86 -54.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.591 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 44.5 mt -54.53 -42.08 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -56.55 -38.86 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.336 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.97 -28.88 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.35 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 64.5 mtt -85.64 23.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.194 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 59.07 50.63 7.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.89 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . 0.485 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 16.2 mmt -125.15 65.55 1.13 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.139 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . 0.579 HD12 ' N ' ' Q' ' 79' ' ' LEU . 8.1 mp -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.851 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -88.5 -52.08 5.36 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . 0.485 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 10.6 mt-10 -59.21 -57.26 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.967 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.1 -28.75 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.748 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.31 77.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -67.4 -29.11 68.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.824 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.734 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.2 mm? -73.52 -41.02 63.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' Q' ' 86' ' ' GLN . 2.2 tm0? -62.75 -3.86 1.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.872 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -85.25 12.0 8.92 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -81.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.203 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.525 179.818 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.16 23.73 26.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -88.94 -38.38 14.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.371 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.67 -43.15 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.8 -41.57 74.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.7 -48.34 72.33 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.4 mt -61.91 -60.84 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.622 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.5 mt -56.93 -37.72 71.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -57.53 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.17 -42.12 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.61 -26.28 67.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.941 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -84.62 -8.75 58.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.934 0.397 . . . . 0.0 109.966 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 70.7 mt -71.99 117.35 13.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.524 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.1 p -65.06 150.81 94.84 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -31.05 -41.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.178 0 C-N-CA 123.254 2.636 . . . . 0.0 113.633 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' Q' ' 18' ' ' GLU . 13.1 mp0 -72.03 -40.52 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.602 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.2 mt-10 -76.27 -29.3 57.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.08 -52.39 59.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.44 -47.33 86.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.94 -43.7 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.99 -47.43 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.066 0.46 . . . . 0.0 109.854 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -58.14 -43.67 87.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.27 -43.44 56.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.896 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -61.89 -8.8 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.098 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.583 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -68.76 -31.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.444 0.64 . . . . 0.0 109.363 177.578 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.95 27.23 6.1 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.3 m -117.04 -48.04 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.6 135.55 86.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.811 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -68.16 148.9 75.87 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.596 1.531 . . . . 0.0 111.463 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.431 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.1 mm? -117.79 130.02 56.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.426 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 84.2 mtt-85 -69.27 -172.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.41 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -70.31 124.28 23.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.4 -38.72 2.87 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.6 m-85 -105.02 150.38 24.99 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.367 0.604 . . . . 0.0 110.688 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -138.4 -176.1 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.541 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.02 157.38 22.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.98 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.753 HG21 HD21 ' Q' ' 44' ' ' LEU . 4.7 mm -82.11 128.58 67.43 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.478 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -38.52 113.12 0.14 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.986 1.791 . . . . 0.0 111.831 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -62.14 -24.68 67.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.9 -26.91 33.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.57 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.556 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.57 -10.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.969 0.385 . . . . 0.0 111.822 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.753 HD21 HG21 ' Q' ' 39' ' ' ILE . 74.1 mt -64.81 1.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.911 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.71 -115.34 0.04 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -47.99 2.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.556 HD12 ' O ' ' Q' ' 43' ' ' ALA . 22.3 mt -72.94 102.41 3.45 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.259 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -80.83 165.89 21.45 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.622 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.83 -20.29 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.925 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.27 -62.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.14 -31.35 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.461 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.43 HD13 ' O ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -63.87 -38.09 89.82 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -71.59 -44.69 64.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.787 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 28.6 t70 -60.0 -42.31 93.98 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.058 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -58.0 -54.14 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.217 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.57 -48.18 75.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.138 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . 0.4 ' CG1' ' OE2' ' Q' ' 62' ' ' GLU . 40.4 t -62.99 -35.58 72.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.37 -42.58 71.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 27.4 t -82.22 -38.04 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.519 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 81.4 m-85 -106.62 -3.84 20.24 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 75.05 155.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.661 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 36.1 mp0 -56.18 -37.11 69.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.217 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.98 -53.29 9.21 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . 0.426 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 2.9 t80 -75.54 -28.51 59.08 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.827 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.77 -57.37 13.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.786 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.08 -41.9 5.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -63.7 -42.53 97.97 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 12.9 tp -67.94 -52.12 39.73 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.49 -51.21 51.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 4.9 t -50.99 -62.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.643 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.63 -30.33 13.21 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.406 HG23 ' O ' ' Q' ' 68' ' ' LEU . 77.4 t -67.7 -50.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.449 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 27.0 mt -56.98 -43.39 81.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.777 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -55.61 -41.9 74.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.394 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.34 -29.03 70.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.812 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.6 mmm -86.37 32.25 0.64 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.438 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' Q' ' 77' ' ' ARG . 10.4 mpt_? 57.03 39.15 29.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.554 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mtt -120.66 58.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.26 -19.25 63.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -91.62 -47.27 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.958 0.409 . . . . 0.0 111.143 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' Q' ' 81' ' ' GLU . 16.7 mt-10 -60.68 -54.26 47.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -57.65 -30.31 65.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.5 81.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -66.44 -28.56 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.61 -45.57 68.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -62.07 -7.21 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.247 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -84.81 -8.79 58.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.055 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.28 47.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.548 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.13 64.44 0.53 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 21.9 m -88.8 -35.78 16.44 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -76.56 -42.84 41.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.04 -35.97 67.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.56 -49.19 50.59 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.57 90.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.116 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.9 -58.87 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.593 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.8 mt -56.47 -40.9 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . 0.424 ' O ' ' ND2' ' Q' ' 14' ' ' ASN . 0.4 OUTLIER -55.53 -33.89 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.288 -179.495 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.9 t -90.02 -43.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.72 -26.83 68.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.466 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -70.35 -24.5 62.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' Q' ' 10' ' ' LYS . 3.8 m-80 -84.92 -8.69 58.66 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.007 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.42 119.77 15.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.547 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 7.5 p -63.2 150.38 89.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -31.26 -43.97 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 123.226 2.617 . . . . 0.0 113.288 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.66 -39.55 70.24 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.486 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' Q' ' 16' ' ' THR . 46.6 mt-10 -73.82 -30.53 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.46 -54.0 43.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -63.07 -41.79 99.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -64.26 -41.41 96.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -47.77 -42.11 24.9 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -60.4 -43.34 96.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.55 -48.89 15.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.71 -10.65 28.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.332 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.99 -39.68 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 31.4 4.75 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 79.8 m -117.64 -40.75 3.0 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.88 136.53 93.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.674 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.24 149.24 88.86 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.268 1.312 . . . . 0.0 110.65 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -119.05 135.83 54.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.991 0.424 . . . . 0.0 110.134 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' Q' ' 36' ' ' PHE . 75.7 mtt-85 -68.75 169.61 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.231 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' Q' ' 36' ' ' PHE . 15.0 mm-40 -39.0 -88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.486 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -32.89 -26.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.189 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' Q' ' 34' ' ' GLU . 10.1 m-85 -100.93 133.15 45.85 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.507 0.67 . . . . 0.0 110.447 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.25 -177.63 3.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.792 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -66.93 170.04 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.168 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.575 ' CD1' ' HZ2' ' Q' ' 55' ' ' LYS . 3.4 mm -91.16 117.27 67.76 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -39.67 112.65 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.53 1.486 . . . . 0.0 111.643 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -61.25 -20.78 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.59 -26.84 28.81 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.274 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.811 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -82.64 -8.68 59.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.99 0.395 . . . . 0.0 111.929 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' Q' ' 44' ' ' LEU . 33.2 mt -73.04 1.08 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.817 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.56 -122.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.051 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . 0.414 ' HG2' ' H ' ' Q' ' 46' ' ' GLN . 38.7 mm-40 -50.88 11.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.811 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.7 mp -76.9 108.23 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 27.5 m-20 -82.8 169.31 16.26 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.593 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.69 -18.97 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.939 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 57.4 t -76.8 -63.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 109.889 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 0.9 OUTLIER -68.14 -32.94 73.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.549 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.11 -35.15 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 15.5 m -72.58 -45.48 58.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.5 t0 -59.12 -48.03 83.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.024 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . 0.575 ' HZ2' ' CD1' ' Q' ' 39' ' ' ILE . 26.2 tptp -58.78 -40.6 84.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.28 -55.68 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.142 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.32 -34.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.104 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.71 -45.9 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.4 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -81.61 -37.11 28.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' O ' ' O ' ' Q' ' 61' ' ' TYR . 96.4 m-85 -109.59 22.62 15.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.134 -0.354 . . . . 0.0 111.65 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 50.72 153.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.74 0.781 . . . . 0.0 112.181 178.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -52.95 -45.95 67.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.189 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' Q' ' 64' ' ' TYR . 5.4 p-10 -74.02 -50.3 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' Q' ' 63' ' ' ASP . 27.9 t80 -75.49 -26.5 58.21 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.161 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -61.63 -56.2 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.386 -0.926 . . . . 0.0 108.758 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.421 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -43.77 -44.01 6.44 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.833 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.83 -39.87 90.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -66.91 -51.02 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.302 178.725 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.35 -49.94 78.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.494 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.589 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 24.7 t -50.16 -64.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.86 -29.13 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.406 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.4 t -69.19 -50.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.641 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.49 -44.99 81.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.695 -0.402 . . . . 0.0 109.932 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -56.66 -40.72 75.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.294 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.66 -27.12 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.453 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtm -86.53 15.75 5.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.236 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 70.64 40.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.5 mmt -120.76 65.37 0.85 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . 0.553 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.2 mm? -70.41 -20.74 62.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.701 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.628 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 42.2 mt-10 -89.63 -50.51 6.03 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 55.5 mp0 -58.39 -51.43 69.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -53.11 -24.91 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -65.27 -30.71 71.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.836 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.16 -45.7 72.78 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.62 -19.31 37.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -88.37 -0.03 56.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.204 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.53 46.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.578 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 46.8 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.31 107.78 3.48 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m -90.37 -40.3 12.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.781 0.324 . . . . 0.0 110.423 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -72.29 -45.68 59.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -56.91 -30.62 64.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -79.52 -47.04 16.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.138 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.08 89.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.804 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.42 -61.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.649 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.69 HD21 ' O ' ' Q' ' 49' ' ' ILE . 10.3 mt -53.3 -40.77 65.02 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.55 -33.76 60.69 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.821 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . 0.625 HG21 HD21 ' Q' ' 85' ' ' LEU . 40.6 t -91.64 -40.36 12.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.13 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.22 -26.72 67.93 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.403 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.33 -23.58 63.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.16 -10.5 56.63 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.908 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.56 119.34 15.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.544 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.7 p -66.31 151.3 96.07 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -31.81 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 123.211 2.608 . . . . 0.0 113.496 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -70.19 -36.32 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.628 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' Q' ' 16' ' ' THR . 41.9 mt-10 -75.71 -30.07 59.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.87 -55.07 33.64 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.45 -44.34 92.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.1 -38.79 92.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 44.3 t80 -50.55 -51.3 49.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 110.19 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -57.59 -48.74 78.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.962 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ttt -72.94 -42.09 63.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.239 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -62.21 -9.75 8.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.657 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.3 OUTLIER -72.02 -34.55 68.93 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.404 0.621 . . . . 0.0 109.558 177.391 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.67 30.59 3.45 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.211 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -129.46 -44.78 1.23 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.365 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.57 114.16 8.83 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.225 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.25 143.48 10.69 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.378 1.385 . . . . 0.0 110.687 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.667 HD22 ' N ' ' Q' ' 32' ' ' LEU . 1.9 mm? -103.68 150.27 24.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.233 0.54 . . . . 0.0 111.475 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 56.2 mtt-85 -67.81 -179.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.715 178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 46.6 mm-40 20.22 -92.17 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.8 0.688 . . . . 0.0 112.107 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.38 86.83 0.1 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.731 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -99.95 158.78 15.57 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -91.02 154.78 19.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.4 0.619 . . . . 0.0 111.043 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -59.69 170.62 1.05 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.357 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 25.5 mm -95.93 117.37 66.39 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 119.451 -0.309 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -40.89 108.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.464 1.443 . . . . 0.0 111.025 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.72 -19.99 63.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.049 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.97 -20.17 40.39 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.29 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.771 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -86.72 -15.44 39.48 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.098 0.449 . . . . 0.0 112.079 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 60.6 mt -71.61 -8.74 55.95 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.081 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -57.03 -114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.837 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' Q' ' 46' ' ' GLN . 0.7 OUTLIER -50.67 8.19 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -178.029 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.771 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.0 mp -81.04 111.38 17.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.326 0.512 . . . . 0.0 111.019 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 34.4 m-20 -81.04 166.69 20.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.69 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.91 -18.09 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 97.2 t -76.47 -63.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 3.9 m-20 -69.93 -33.94 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -64.11 -29.3 70.44 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 5.2 m -75.83 -45.23 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 30.8 t70 -59.31 -45.37 91.49 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.6 -51.23 69.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.693 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.54 -48.01 71.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.417 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.92 -36.52 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.214 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.42 -44.22 65.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.395 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.4 p -78.73 -32.26 46.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.538 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 44.5 m-85 -109.35 -6.32 15.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.538 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 78.8 150.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.0 109.937 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.26 -37.52 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.28 -53.76 9.08 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' Q' ' 64' ' ' TYR . 1.8 t80 -73.41 -31.82 64.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.052 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.659 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.47 -43.16 3.54 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -65.26 -40.0 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 21.2 tp -67.62 -44.2 78.58 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.4 t -54.09 -47.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.62 -65.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.46 -32.58 7.99 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.516 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 63.7 t -65.15 -53.82 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.443 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 60.0 mt -53.43 -37.82 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' Q' ' 76' ' ' MET . 93.2 mtt180 -67.2 -16.79 64.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 18.7 t0 -54.04 -34.76 60.85 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . 0.451 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 17.5 mtt -84.78 -133.24 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 174.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -133.75 69.0 1.47 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -112.68 50.55 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.723 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.46 -23.0 66.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.594 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 11.1 tm-20 -96.57 -55.89 2.77 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -58.97 -54.9 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -54.83 -21.44 11.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.691 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -66.72 -34.98 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -66.21 -29.02 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.818 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.625 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.2 mm? -73.43 -27.43 61.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.297 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 -23.43 67.25 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -79.88 3.79 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.02 53.59 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.744 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.519 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' Q' ' 1' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' Q' ' 1' ' ' MET . . . 21.81 101.68 0.0 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.004 0.815 . . . . 0.0 112.539 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m -89.61 -42.09 11.59 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.214 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.17 -45.96 45.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -56.19 -27.94 56.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -82.39 -45.93 14.2 Favored 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.815 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.05 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 109.863 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . 0.421 HG21 HG23 ' Q' ' 53' ' ' THR . 69.4 mt -62.38 -60.69 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.744 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.47 -39.6 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -30.24 62.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.989 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -92.36 -43.15 13.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.96 -30.1 70.05 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.95 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.27 -20.76 64.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -85.94 -9.67 56.49 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.39 119.41 14.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.529 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 11.9 p -62.32 149.24 87.99 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -32.43 -42.42 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 123.197 2.598 . . . . 0.0 113.915 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.21 -31.54 62.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.365 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' Q' ' 16' ' ' THR . 92.0 mt-10 -75.56 -34.65 60.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.498 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . 0.611 HD11 ' HZ3' ' Q' ' 24' ' ' LYS . 25.4 tp -63.12 -42.73 99.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -61.78 -52.41 64.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.614 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -42.76 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -46.31 -53.89 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.392 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.611 ' HZ3' HD11 ' Q' ' 20' ' ' LEU . 40.7 mttp -56.22 -41.67 76.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.258 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 4.3 ttt -73.42 -44.83 57.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' Q' ' 76' ' ' MET . 47.1 mttm -62.43 -8.28 5.85 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.097 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.697 HD11 HD11 ' Q' ' 56' ' ' LEU . 1.6 tt -69.63 -28.17 65.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.79 29.76 7.64 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.69 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 74.7 p -118.95 -45.43 2.57 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.11 134.47 84.22 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.566 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.58 149.93 68.65 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.566 1.511 . . . . 0.0 111.233 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.436 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.2 mm? -118.12 131.68 56.4 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.834 0.349 . . . . 0.0 110.147 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.472 ' HD2' ' H ' ' Q' ' 33' ' ' ARG . 0.2 OUTLIER -70.59 -171.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.394 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -72.22 126.16 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.76 -36.36 3.7 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 0.4 OUTLIER -111.31 151.66 28.13 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.273 0.559 . . . . 0.0 110.161 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -134.94 -176.91 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.241 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . 0.576 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -63.37 157.25 23.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.789 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.758 HG21 HD21 ' Q' ' 44' ' ' LEU . 3.7 mm -82.0 129.5 64.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.576 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -37.71 110.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.186 1.924 . . . . 0.0 111.736 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.0 -16.63 52.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.817 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.3 -27.26 15.99 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.073 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.96 -8.55 59.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.87 0.335 . . . . 0.0 111.687 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.758 HD21 HG21 ' Q' ' 39' ' ' ILE . 83.1 mt -69.72 -50.29 45.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.085 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.75 20.64 2.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 72.6 mt-30 -127.01 -40.93 1.83 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 111.501 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.69 125.83 30.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -81.68 173.52 12.25 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -27.83 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.507 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.77 -59.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.004 0.43 . . . . 0.0 110.355 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.87 -29.65 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.5 OUTLIER -65.34 -38.4 90.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.364 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.421 HG23 HG21 ' Q' ' 8' ' ' ILE . 54.9 m -69.74 -47.0 64.64 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.684 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -58.61 -43.19 89.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.986 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -59.72 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.719 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.697 HD11 HD11 ' Q' ' 27' ' ' LEU . 9.9 mt -64.1 -51.4 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.31 0.576 . . . . 0.0 109.733 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.91 -37.64 79.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.809 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.83 -43.1 72.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -81.77 -37.16 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.6 m-85 -108.86 -4.03 17.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.54 152.22 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.028 0.442 . . . . 0.0 110.047 -179.422 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.72 -38.98 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.434 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.84 -50.16 21.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -81.09 -28.69 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.931 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.13 -58.37 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.631 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.572 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.25 -44.1 10.95 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.649 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -61.32 -40.41 94.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.579 ' O ' HD23 ' Q' ' 68' ' ' LEU . 3.5 tt -67.23 -48.87 66.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.99 -47.04 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.198 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.572 HG23 ' O ' ' Q' ' 66' ' ' ALA . 39.5 t -51.61 -62.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.901 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.464 HG23 ' O ' ' Q' ' 68' ' ' LEU . 84.0 t -67.74 -49.28 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.539 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.21 -43.56 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -56.61 -39.74 74.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.46 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' SD ' ' CE ' ' Q' ' 26' ' ' LYS . 50.4 mmm -84.77 32.61 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 49.04 29.01 2.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.985 0.421 . . . . 0.0 110.355 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . 0.491 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 13.0 mmt -114.38 68.47 0.7 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 41.0 mt -69.52 -23.02 63.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.87 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 88.7 mt-10 -78.05 -47.54 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . 0.491 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 87.0 mt-10 -54.09 -56.58 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.55 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.27 -29.27 60.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.457 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -59.25 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.202 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . 0.503 ' N ' ' CD ' ' Q' ' 84' ' ' ARG . 0.9 OUTLIER -64.72 -25.48 67.95 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.561 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.5 tt -73.36 -49.44 27.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.955 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' Q' ' 88' ' ' ALA . 24.4 tt0 -58.44 -7.17 0.82 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.17 21.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' Q' ' 86' ' ' GLN . . . -160.23 111.09 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.936 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.554 -179.712 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.97 105.26 3.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 15.6 m -91.68 -40.18 11.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.321 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . 0.475 ' NZ ' ' C ' ' Q' ' 89' ' ' ALA . 47.2 mttp -75.06 -45.36 42.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.74 -24.8 58.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.1 -48.21 8.83 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.914 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.97 -62.98 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.757 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.72 -39.61 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.535 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.92 -32.44 53.53 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.653 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . 0.762 HG21 HD21 ' Q' ' 85' ' ' LEU . 37.8 t -90.97 -41.54 13.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.669 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.94 -28.75 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.552 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.11 -24.17 64.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -85.35 -9.1 58.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.244 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -70.52 119.09 14.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.8 p -64.98 152.78 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.722 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -32.1 -51.26 0.33 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 123.329 2.686 . . . . 0.0 113.74 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.0 -30.64 69.08 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -78.45 -34.67 47.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.82 -50.42 72.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.17 -46.01 92.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' Q' ' 72' ' ' VAL . 83.5 t80 -51.91 -46.81 64.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.929 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.84 -47.66 82.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.695 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 11.1 mtp -75.36 -38.24 60.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -63.97 -11.48 29.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.462 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 7.2 mt -75.95 -33.69 59.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.61 31.74 3.82 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -126.77 -40.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.04 116.64 19.9 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.139 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -43.81 146.8 1.39 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.734 1.622 . . . . 0.0 111.902 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.476 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.0 mm? -117.61 143.11 46.45 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.462 ' CZ ' ' OH ' ' Q' ' 64' ' ' TYR . 98.6 mtt180 -68.25 178.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.82 16.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -125.1 -21.1 2.14 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -119.66 150.67 39.96 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.302 0.572 . . . . 0.0 110.55 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -122.08 -178.4 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.824 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . 0.592 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -68.34 164.32 21.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.076 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.77 HG21 HD21 ' Q' ' 44' ' ' LEU . 4.9 mm -86.11 125.96 66.67 Favored Pre-proline 0 CA--C 1.54 0.575 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -39.05 117.71 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.793 1.662 . . . . 0.0 111.577 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -64.03 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.52 -23.95 29.8 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.582 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.3 -10.1 58.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.327 0.564 . . . . 0.0 111.806 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.77 HD21 HG21 ' Q' ' 39' ' ' ILE . 84.4 mt -66.79 3.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.935 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -65.65 -113.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.858 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -62.01 13.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.582 HD12 ' O ' ' Q' ' 43' ' ' ALA . 20.5 mt -73.26 100.88 3.24 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.019 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 10.3 m-20 -79.37 164.55 23.94 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -20.95 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.141 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 43.0 t -75.35 -62.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.203 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 -32.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -63.23 -34.76 78.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.2 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.412 ' N ' HD13 ' Q' ' 52' ' ' LEU . 26.5 m -74.57 -44.32 51.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.342 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 48.4 t0 -59.36 -36.45 75.77 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.778 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.24 -54.79 35.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.452 HD11 HD13 ' Q' ' 27' ' ' LEU . 15.5 mt -64.71 -46.81 80.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.096 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -61.77 -36.25 72.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.93 -40.95 71.76 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.792 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -83.15 -37.26 23.95 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 77.2 m-85 -106.76 -7.65 17.14 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.51 154.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' Q' ' 62' ' ' GLU . 1.4 mp0 -55.43 -36.52 66.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.297 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.12 -52.32 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . 0.462 ' OH ' ' CZ ' ' Q' ' 33' ' ' ARG . 6.0 t80 -76.55 -30.16 56.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.83 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.51 -58.09 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.02 -1.072 . . . . 0.0 108.561 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.87 -45.62 7.59 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.4 -35.41 77.44 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -69.49 -46.56 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.325 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -56.87 -47.47 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.205 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -49.78 -65.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.83 -31.61 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' Q' ' 23' ' ' PHE . 78.6 t -65.67 -52.79 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.286 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 35.7 mt -54.15 -38.91 66.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.8 mtt180 -67.16 -17.35 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 9.9 t0 -52.88 -34.13 53.18 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' Q' ' 76' ' ' MET . 2.7 mpp? -85.66 -134.31 0.06 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -132.16 66.82 1.54 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -113.39 51.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.587 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.82 -19.46 65.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.74 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.645 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 64.9 tt0 -97.99 -56.19 2.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.43 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -57.5 -54.55 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.591 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.62 -21.64 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -64.1 -35.42 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -65.96 -31.19 71.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.895 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.762 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.1 mm? -72.63 -43.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.858 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 13.6 tm0? -64.31 -12.53 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -86.01 0.02 54.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.054 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.22 -80.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.526 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . 0.475 ' C ' ' NZ ' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.22 25.05 26.19 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -90.59 -33.18 15.97 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.59 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . 0.415 ' HZ1' ' C ' ' Q' ' 89' ' ' ALA . 33.1 mttm -76.02 -43.84 42.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.2 -38.78 71.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -70.43 -48.8 54.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.102 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.4 92.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.28 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.21 -59.69 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.714 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.732 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.4 mt -55.16 -39.92 70.06 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.453 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -30.12 61.65 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.986 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.6 t -92.35 -42.97 13.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.33 -25.23 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.661 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -69.79 -24.55 63.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.296 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -85.09 -9.29 58.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.079 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.2 117.27 11.54 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.539 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -63.47 151.67 87.22 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.66 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -31.84 -49.26 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 123.403 2.736 . . . . 0.0 114.214 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -70.06 -29.48 66.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' Q' ' 16' ' ' THR . 48.8 mt-10 -78.06 -36.42 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.57 -49.58 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.829 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.67 -41.84 95.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.208 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -49.97 -57.2 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.147 0.498 . . . . 0.0 110.268 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.405 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 24.0 mtpp -56.55 -37.77 70.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.908 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -76.04 -41.38 51.02 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -63.69 -9.7 15.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.255 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' Q' ' 27' ' ' LEU . 0.9 OUTLIER -70.92 -36.61 72.75 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.229 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.2 25.67 23.06 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.222 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -121.04 -55.01 2.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.828 0.347 . . . . 0.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . 0.532 ' O ' HG13 ' Q' ' 30' ' ' VAL . 7.7 p -61.64 122.62 72.42 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . 0.463 ' C ' HD22 ' Q' ' 32' ' ' LEU . 84.9 Cg_exo -42.79 147.46 0.62 Allowed 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 122.104 1.869 . . . . 0.0 113.356 -179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.463 HD22 ' C ' ' Q' ' 31' ' ' PRO . 4.5 mm? -117.03 142.98 46.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.555 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 2.6 mpt_? -66.21 -175.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -80.84 100.4 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.07 -10.15 0.75 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 157.71 43.27 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.183 0.516 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -133.92 -177.29 4.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 145.03 56.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.84 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.738 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.5 mm -81.71 128.98 67.15 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.46 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . 0.421 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 30.0 Cg_exo -36.62 112.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.159 1.906 . . . . 0.0 112.179 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -64.72 -17.94 64.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.776 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.18 -26.2 19.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.316 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.52 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.7 -16.24 45.69 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 122.609 -0.348 . . . . 0.0 111.702 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.738 HD21 HG21 ' Q' ' 39' ' ' ILE . 76.6 mt -65.62 2.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.969 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.07 -120.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -42.9 -1.01 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 90.3 mt -76.41 115.51 16.22 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.041 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 18.7 m-20 -83.05 166.95 18.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.189 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.732 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.62 -17.73 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.355 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.2 t -75.12 -65.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.102 0.477 . . . . 0.0 110.16 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -64.45 -35.72 81.85 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.529 ' N ' HD13 ' Q' ' 52' ' ' LEU . 50.9 m -71.79 -46.07 59.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.99 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 47.3 t0 -57.84 -44.13 86.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.006 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -55.28 -56.47 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.072 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.13 -47.86 72.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.316 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 41.3 t -59.89 -37.38 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.02 -42.94 65.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 30.8 t -79.8 -37.12 35.89 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.541 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 65.8 m-85 -104.14 -3.91 23.83 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.215 -0.303 . . . . 0.0 111.56 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.57 150.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.17 -38.93 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.433 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.02 -51.08 17.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -78.43 -26.7 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.933 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.64 -58.56 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.124 -1.03 . . . . 0.0 108.831 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.87 -43.12 8.57 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.726 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.07 -40.91 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.517 ' O ' HD23 ' Q' ' 68' ' ' LEU . 1.3 tt -67.65 -50.45 57.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.721 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.09 -49.0 80.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.536 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 10.0 t -51.11 -64.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.988 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.21 -29.87 15.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.481 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.3 t -68.3 -51.83 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.619 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.35 -40.47 86.53 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.503 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -55.57 -40.63 72.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.29 -28.8 69.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.827 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 32.8 mtt -84.84 23.73 1.15 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.49 33.39 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.556 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.0 mmt -113.89 68.4 0.69 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.16 -38.97 72.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.207 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -64.3 -47.36 79.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.043 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -59.67 -55.35 35.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.207 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.536 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.59 -32.72 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.4 77.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mmt-85 -67.06 -30.2 70.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.33 -51.46 36.76 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . 0.442 ' C ' ' H ' ' Q' ' 88' ' ' ALA . 5.5 tm0? -54.81 -11.59 0.64 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.705 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -80.55 21.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' Q' ' 86' ' ' GLN . . . -162.34 109.76 1.32 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.316 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . 0.415 ' C ' ' HZ1' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.46 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.16 115.33 0.16 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.8 m -89.95 -37.69 14.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . 0.46 ' NZ ' ' C ' ' Q' ' 89' ' ' ALA . 41.1 mttp -74.71 -45.87 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.62 -30.36 60.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.98 -47.46 20.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.838 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.64 90.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.53 -63.97 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.736 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.5 mt -53.13 -36.69 61.06 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.808 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -54.47 -38.98 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.513 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -35.95 9.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.872 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.73 -37.93 86.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.978 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -64.03 -21.11 66.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.737 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -85.78 -10.61 55.23 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.29 117.0 13.39 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.536 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 12.4 p -62.99 149.0 91.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.395 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -33.71 -36.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.997 2.465 . . . . 0.0 113.601 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.86 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.681 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' Q' ' 16' ' ' THR . 40.4 mt-10 -74.98 -35.68 62.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.241 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.91 -42.28 97.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -61.92 -51.31 68.67 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.843 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -41.16 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.64 -53.55 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.125 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.409 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 78.7 mttt -56.65 -40.02 74.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.174 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -45.97 50.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.689 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 31.9 mmtm -65.28 -8.69 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.715 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -71.5 -28.93 64.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 109.394 178.109 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.04 34.16 5.11 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.343 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 45.5 p -121.49 -44.32 2.36 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . 0.417 HG23 ' H ' ' Q' ' 30' ' ' VAL . 16.9 t -57.08 136.14 80.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . 0.455 ' O ' HD12 ' Q' ' 32' ' ' LEU . 20.9 Cg_endo -59.7 150.69 75.27 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.171 1.247 . . . . 0.0 112.026 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.455 HD12 ' O ' ' Q' ' 31' ' ' PRO . 6.3 mp -116.55 122.01 43.44 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.65 175.94 3.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.271 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.28 98.98 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.57 -20.36 1.03 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.91 137.02 48.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.281 0.562 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 16.9 mp0 -99.54 175.57 5.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.718 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.9 -179.72 0.22 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.762 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.428 HG21 HD21 ' Q' ' 44' ' ' LEU . 33.0 mm -106.15 103.43 45.04 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' Q' ' 39' ' ' ILE . 46.7 Cg_exo -39.51 111.79 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.489 1.459 . . . . 0.0 111.364 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -59.99 -27.9 67.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.028 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.85 -22.47 61.47 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.007 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -83.69 -14.99 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.9 0.35 . . . . 0.0 111.856 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' Q' ' 46' ' ' GLN . 73.7 mt -70.18 -50.61 38.41 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.692 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.05 19.78 3.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 21.8 tp60 -126.92 -41.58 1.8 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.848 0.356 . . . . 0.0 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.412 HD11 ' HB1' ' Q' ' 43' ' ' ALA . 14.9 mt -80.86 126.38 31.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.73 169.86 16.44 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.736 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.44 -24.6 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.45 -179.455 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 t -74.88 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 109.932 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.55 -29.46 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.775 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.9 -36.11 83.31 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.425 ' N ' HD13 ' Q' ' 52' ' ' LEU . 49.4 m -69.95 -45.26 67.82 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.91 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 76.7 m-20 -57.6 -43.17 84.49 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.503 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -56.96 -55.46 34.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.295 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -48.29 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.003 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.48 -37.35 77.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.0 -41.71 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -80.22 -38.62 30.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.728 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.54 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 80.9 m-85 -106.81 -2.88 20.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.33 153.34 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.7 -35.54 70.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.146 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.04 -51.82 14.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.56 -28.35 51.76 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.588 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.94 -58.81 6.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.406 -0.918 . . . . 0.0 108.812 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.412 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.67 -44.03 8.77 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.92 -40.75 98.56 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.631 ' O ' HG23 ' Q' ' 72' ' ' VAL . 1.6 tt -67.31 -49.13 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.586 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 83.2 t -56.85 -49.63 78.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.46 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 25.0 t -50.67 -62.45 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.5 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.631 HG23 ' O ' ' Q' ' 68' ' ' LEU . 87.9 t -68.74 -52.16 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.799 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.654 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 42.8 mt -55.89 -43.71 77.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.91 -41.06 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.499 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.41 27.97 0.57 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 59.14 33.76 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.576 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -122.12 67.66 0.93 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.54 -24.23 62.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.982 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' Q' ' 80' ' ' GLU . 5.5 mp0 -81.35 -48.31 12.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.404 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -58.15 -55.33 36.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.394 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -52.66 -29.01 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.784 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.28 -38.52 83.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -65.62 -31.33 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.739 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.479 ' N ' HD22 ' Q' ' 85' ' ' LEU . 3.8 mm? -72.84 -48.23 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -56.93 -12.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -90.36 8.82 31.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -93.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . 0.46 ' C ' ' NZ ' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' Q' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.33 47.95 0.32 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -91.06 -35.86 14.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -74.2 -45.3 49.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -54.56 -42.59 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.22 -47.69 78.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.071 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.68 94.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.147 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.23 -58.16 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.695 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.2 mt -54.95 -34.44 63.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.647 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -57.77 -39.92 78.58 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.848 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.24 -38.01 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.12 -35.71 77.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.201 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.57 -22.78 66.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.212 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -85.24 -8.91 58.32 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 120.899 0.38 . . . . 0.0 110.217 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.16 119.37 14.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.541 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.2 p -63.86 150.9 90.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.136 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -31.7 -48.58 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 123.212 2.608 . . . . 0.0 114.42 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -71.08 -29.22 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.785 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' Q' ' 16' ' ' THR . 93.8 mt-10 -77.87 -35.3 51.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.13 -50.19 71.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.07 -48.0 83.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.505 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -41.72 90.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.788 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 91.4 t80 -49.23 -49.79 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.272 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.77 -44.97 74.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.262 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 50.3 mtp -76.23 -41.9 47.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -63.04 -11.12 17.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.928 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.3 mt -72.87 -27.75 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.6 30.96 6.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.96 -46.14 1.98 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . 0.459 ' O ' HD22 ' Q' ' 32' ' ' LEU . 57.8 t -55.75 116.64 12.63 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.557 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -42.67 148.27 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.868 1.712 . . . . 0.0 112.012 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' NH2' ' Q' ' 38' ' ' ARG . 2.4 mm? -124.22 130.43 52.51 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.489 ' HD2' ' H ' ' Q' ' 33' ' ' ARG . 2.3 mpt_? -69.31 -175.36 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.703 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.9 98.84 4.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.29 -21.52 0.29 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.555 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -123.91 149.53 45.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 110.788 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.58 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.67 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' Q' ' 32' ' ' LEU . 4.5 tpm_? -65.14 160.91 20.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.472 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.875 HG21 HD21 ' Q' ' 44' ' ' LEU . 33.6 mm -87.42 119.55 70.84 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.617 -0.23 . . . . 0.0 110.493 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -40.32 117.68 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.853 1.702 . . . . 0.0 111.956 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -60.67 -22.93 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.294 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -23.59 48.77 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.237 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.17 59.22 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.894 0.347 . . . . 0.0 111.685 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.875 HD21 HG21 ' Q' ' 39' ' ' ILE . 96.4 mt -80.82 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.988 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.29 26.88 2.88 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -127.74 -42.6 1.6 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.11 0.481 . . . . 0.0 111.099 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.581 HD12 ' N ' ' Q' ' 47' ' ' LEU . 7.0 mp -84.98 137.66 32.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.54 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 3.9 m-20 -82.6 170.12 15.53 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.695 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.87 -20.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.157 -179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 5.1 t -74.69 -64.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.77 -27.59 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.787 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -64.83 -36.73 85.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.678 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.437 ' N ' HD13 ' Q' ' 52' ' ' LEU . 53.5 m -71.55 -46.98 57.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.229 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 15.1 t70 -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.326 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -57.57 -54.77 43.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.19 -48.46 73.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.28 0.562 . . . . 0.0 110.037 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.86 -37.84 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.083 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.29 -42.55 68.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -81.1 -36.43 30.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.552 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 46.9 m-85 -106.49 -4.72 19.47 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.552 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 79.14 150.0 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 -179.4 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -55.12 -40.48 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.664 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.71 -50.59 20.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.44 -28.79 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.977 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.09 -58.04 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.847 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.68 9.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.674 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.04 -39.69 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.51 -47.94 68.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.407 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 90.8 t -61.07 -47.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 4.6 t -51.97 -62.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.46 13.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.476 HG23 ' O ' ' Q' ' 68' ' ' LEU . 76.9 t -69.91 -52.11 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.244 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 38.9 mt -56.4 -44.05 79.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.794 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.4 -39.42 67.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -67.35 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.494 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.1 mmm -83.35 27.3 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 56.88 30.7 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.1 mmt -118.29 68.93 0.78 Allowed 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . 0.507 HD12 ' N ' ' Q' ' 79' ' ' LEU . 11.0 mp -71.4 -44.96 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.603 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 53.7 mt-10 -59.66 -43.79 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 111.294 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.59 -57.54 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.924 0.392 . . . . 0.0 110.964 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -55.27 -31.03 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -61.07 -38.88 87.79 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -65.86 -28.31 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.764 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.81 -45.03 72.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -55.41 -11.11 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.513 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -81.11 22.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.977 0.417 . . . . 0.0 110.319 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -158.34 90.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.527 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 49.5 mtm . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.45 57.84 0.66 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -90.78 -37.29 13.74 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -76.28 -45.59 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -58.01 -25.07 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.49 -48.22 10.53 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.28 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.1 -60.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.781 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.33 -40.97 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.675 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -54.8 -29.55 54.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.51 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -93.37 -42.17 12.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.54 -29.68 70.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.873 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.9 -21.48 64.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.13 -9.83 57.44 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.54 117.91 11.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' Q' ' 19' ' ' GLU . 2.4 p -65.56 150.92 95.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -31.7 -41.58 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 123.22 2.614 . . . . 0.0 113.695 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.89 -55.17 9.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.881 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 0.3 OUTLIER -60.27 -27.54 67.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.979 -178.541 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.11 -43.22 99.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -62.89 -51.14 68.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.701 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 88.9 t80 -49.45 -52.75 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.399 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -55.77 -45.2 78.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.543 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -75.75 -44.28 42.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.046 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 41.1 mmtt -62.52 -10.55 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.865 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.61 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.8 mt -74.82 -25.75 59.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 32.13 6.09 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.421 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 18.1 p -126.35 -42.35 1.84 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.64 117.07 16.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.82 145.41 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.75 1.634 . . . . 0.0 112.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.433 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.1 mm? -117.35 135.72 53.66 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' Q' ' 35' ' ' GLY . 42.7 mtp180 -66.7 173.09 3.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.023 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.07 13.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.526 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -119.31 -13.85 6.17 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 4.4 m-85 -132.62 160.25 37.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.285 0.564 . . . . 0.0 111.143 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -135.67 -177.11 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . 0.7 ' NH1' ' H ' ' Q' ' 41' ' ' ARG . 0.0 OUTLIER -64.09 154.22 35.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.904 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.787 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.4 mm -82.13 127.01 73.23 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -38.25 118.52 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.117 1.878 . . . . 0.0 111.744 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . 0.7 ' H ' ' NH1' ' Q' ' 38' ' ' ARG . 31.2 ptt85 -65.0 -27.43 68.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . 0.574 ' O ' ' NE2' ' Q' ' 46' ' ' GLN . . . -82.88 -24.85 51.68 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.429 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -83.66 -8.98 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.008 0.404 . . . . 0.0 111.737 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.787 HD21 HG21 ' Q' ' 39' ' ' ILE . 77.2 mt -73.26 -46.43 50.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.289 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.28 24.51 8.14 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' Q' ' 42' ' ' GLY . 2.3 mp0 -127.44 -43.91 1.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.775 0.321 . . . . 0.0 111.252 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' Q' ' 51' ' ' ASP . 11.5 mt -83.45 134.7 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.076 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.81 170.83 14.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -25.21 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.618 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -73.18 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.037 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' Q' ' 47' ' ' LEU . 23.5 m-20 -70.86 -29.6 65.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.019 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.77 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -65.52 -36.21 83.14 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.575 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.556 ' N ' HD13 ' Q' ' 52' ' ' LEU . 23.5 m -69.4 -48.69 60.3 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.96 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 11.1 t0 -54.94 -40.47 69.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.007 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -59.15 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.33 -51.54 59.92 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.466 0.651 . . . . 0.0 109.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -62.33 -36.07 72.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.136 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.67 -44.04 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.714 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 39.4 m -80.89 -39.15 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.53 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.9 m-85 -105.29 -4.34 21.73 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.77 151.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.98 -38.09 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.079 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 31.8 t70 -74.67 -51.82 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -78.33 -27.55 47.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.779 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.76 -58.4 8.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.634 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.84 -44.03 9.21 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.68 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' Q' ' 67' ' ' GLU . 0.3 OUTLIER -62.32 -39.77 94.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.234 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.93 -51.15 51.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.616 178.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 86.7 t -60.8 -48.91 86.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.646 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.512 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 11.1 t -50.05 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.379 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.34 25.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.447 HG23 ' O ' ' Q' ' 68' ' ' LEU . 52.9 t -70.08 -52.13 33.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.698 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 30.5 mt -56.26 -44.55 79.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.76 -38.13 69.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 0.0 110.01 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.6 -29.09 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 89.9 mmm -85.18 21.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.228 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 62.05 35.27 16.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.881 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.9 mmt -114.8 67.42 0.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . 0.573 HD12 ' N ' ' Q' ' 79' ' ' LEU . 9.6 mp -71.28 -31.51 67.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.348 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.52 -48.2 28.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.262 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -58.74 -57.12 14.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.41 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.512 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.28 -31.36 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.92 77.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.528 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -66.15 -28.38 68.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.837 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.26 -50.93 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.8 -19.16 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.755 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -87.0 -10.48 53.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.47 55.76 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.182 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.512 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.28 14.45 24.15 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -89.59 -31.73 17.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.689 0.281 . . . . 0.0 110.366 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -75.2 -41.29 58.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.64 -48.22 72.53 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.07 -50.3 73.19 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.045 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 47.7 mt -63.17 -59.04 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.688 HD21 ' O ' ' Q' ' 49' ' ' ILE . 12.1 mt -55.89 -39.91 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.927 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.259 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -90.64 -42.08 13.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.86 -25.9 67.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.179 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.7 -24.32 64.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.206 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -81.42 -10.34 59.54 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.52 119.56 14.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.535 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -64.56 151.53 91.63 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -32.75 -49.88 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.974 2.449 . . . . 0.0 112.929 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -69.68 -35.96 75.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.469 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' Q' ' 16' ' ' THR . 21.2 mt-10 -71.7 -29.46 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.42 -43.33 96.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -60.83 -49.81 75.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.171 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -59.58 -39.64 84.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.724 -0.791 . . . . 0.0 109.423 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.517 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 51.0 t80 -49.72 -53.83 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 110.692 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 13.4 mtmt -57.18 -47.47 81.16 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.288 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.61 -43.97 45.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.399 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -59.73 -8.87 2.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.608 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -69.53 -34.18 73.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.399 0.619 . . . . 0.0 109.513 177.433 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.37 26.62 3.41 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.517 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 53.5 p -123.75 -44.86 2.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.07 115.68 12.94 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.375 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.45 144.4 1.23 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.879 1.719 . . . . 0.0 112.137 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -118.49 129.39 55.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -69.08 169.23 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.392 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' Q' ' 34' ' ' GLU . 30.6 mp0 -63.32 97.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.21 -34.66 1.0 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -108.02 147.84 30.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.282 0.563 . . . . 0.0 110.127 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -134.07 -177.12 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.729 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.43 160.06 20.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.577 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.84 126.88 76.7 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -38.8 123.87 0.83 Allowed 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.947 1.765 . . . . 0.0 112.054 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -47.86 -26.85 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.736 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.13 -9.99 64.85 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.93 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.476 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -85.21 -17.16 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 111.241 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.52 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 10.9 mt -76.17 -5.44 46.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.542 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -84.01 -124.37 1.09 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.756 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -41.08 -3.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 16.9 mt -81.32 112.89 19.03 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.038 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 68.7 m-20 -82.27 170.48 15.34 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.632 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.688 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.88 -17.36 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.53 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 3.8 t -77.31 -65.0 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -68.34 -33.49 74.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.82 -32.07 73.6 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 17.5 m -75.78 -43.78 44.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 7.2 m-20 -60.5 -44.41 96.02 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . 0.444 ' HZ3' ' CD1' ' Q' ' 47' ' ' LEU . 3.1 tppm? -58.67 -52.64 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.6 -47.24 79.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.01 -33.36 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.05 -45.03 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.091 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -80.21 -35.62 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 88.2 m-85 -105.22 -4.74 21.34 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 74.74 153.76 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.623 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.79 -35.9 66.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . 0.428 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 39.9 t0 -75.65 -53.83 7.94 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.64 -28.77 61.96 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.914 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.66 -59.0 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.975 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.419 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -43.05 -41.62 3.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.971 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' Q' ' 67' ' ' GLU . 0.4 OUTLIER -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 20.0 tp -67.83 -48.89 64.94 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.0 -50.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.556 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 24.9 t -50.61 -65.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.929 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -30.87 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 70.5 t -67.55 -53.46 31.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.598 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 40.0 mt -55.65 -35.39 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . 0.571 ' O ' ' O ' ' Q' ' 76' ' ' MET . 77.9 mtt180 -64.06 -36.29 83.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' Q' ' 74' ' ' ARG . 9.6 t70 -37.2 -32.08 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.669 0.747 . . . . 0.0 109.328 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 7.7 mmt -86.21 -132.53 0.06 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -137.97 66.04 1.46 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . 0.496 ' SD ' ' OE1' ' Q' ' 81' ' ' GLU . 22.5 mmt -117.78 58.67 0.8 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 113.452 -1.703 . . . . 0.0 109.274 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.95 -14.16 62.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 28.2 tt0 -98.12 -54.34 3.1 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.874 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . 0.496 ' OE1' ' SD ' ' Q' ' 78' ' ' MET . 8.7 mt-10 -57.99 -60.43 3.74 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -51.91 -23.99 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.353 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -66.95 -31.37 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.76 -28.94 69.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.2 -48.49 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.577 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -64.36 -25.29 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.376 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -86.08 -3.74 59.01 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.83 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.84 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.511 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . 0.415 ' O ' ' O ' ' Q' ' 2' ' ' GLY . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' Q' ' 1' ' ' MET . . . 58.2 120.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m -88.43 -35.51 17.03 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -75.95 -44.05 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -56.96 -21.9 33.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.67 -49.28 7.61 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.625 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.01 83.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.7 -62.15 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.533 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -41.9 70.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.332 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -29.73 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.625 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . 0.646 HG21 HD21 ' Q' ' 85' ' ' LEU . 39.4 t -93.28 -42.53 13.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.74 -29.0 69.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.578 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -69.16 -24.95 64.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.905 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -83.55 -9.39 58.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.871 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.2 118.32 12.88 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.537 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.3 p -63.78 152.1 87.39 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.62 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -32.3 -48.83 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 123.032 2.488 . . . . 0.0 113.563 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.58 -33.99 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.588 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' Q' ' 16' ' ' THR . 37.1 mt-10 -77.37 -30.55 53.8 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.643 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.94 -50.48 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.763 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -65.58 -39.19 91.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.22 -46.16 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.453 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 52.1 mttm -58.69 -46.36 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.079 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 19.3 mtt -76.92 -45.64 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.686 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -65.12 -12.2 48.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.252 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.504 ' CD2' HD21 ' Q' ' 56' ' ' LEU . 14.5 tp -77.26 -36.62 54.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.4 37.31 3.46 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -126.69 -38.43 2.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.591 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.41 135.8 91.69 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.108 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . 0.614 ' C ' HD22 ' Q' ' 32' ' ' LEU . 54.8 Cg_endo -69.17 151.16 72.45 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.217 1.278 . . . . 0.0 109.912 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.614 HD22 ' C ' ' Q' ' 31' ' ' PRO . 4.4 mm? -115.38 149.06 38.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.392 0.615 . . . . 0.0 110.987 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.546 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 8.0 mpt_? -69.17 -168.81 0.16 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.826 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 66.5 mm-40 17.14 -98.51 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.009 0.818 . . . . 0.0 112.308 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.25 85.92 0.12 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.528 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -99.83 155.09 17.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 6.4 mp0 -88.98 144.48 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 111.109 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.34 -173.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.485 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.588 HG21 HD21 ' Q' ' 44' ' ' LEU . 8.0 mm -100.11 103.03 20.13 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -39.41 122.37 0.87 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.713 1.609 . . . . 0.0 111.762 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -57.46 -66.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.641 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.23 -23.02 0.4 Allowed Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.214 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.88 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -85.01 -13.8 49.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.05 0.425 . . . . 0.0 112.088 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.588 HD21 HG21 ' Q' ' 39' ' ' ILE . 34.2 mt -72.0 -5.03 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.835 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.57 -115.51 0.02 OUTLIER Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.724 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -50.83 6.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.88 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.2 mp -79.49 102.98 9.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.39 0.541 . . . . 0.0 111.667 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' Q' ' 48' ' ' ASP . 1.7 m-20 -82.85 172.39 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.463 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -50.26 -19.64 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.081 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.03 -62.35 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.366 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.05 -32.76 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.93 -32.71 74.56 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 4.9 m -74.43 -48.83 25.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.672 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 4.8 m-20 -59.54 -45.5 91.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.694 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -58.56 -39.52 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' Q' ' 27' ' ' LEU . 10.0 mt -67.56 -54.69 17.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.235 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.9 -32.24 57.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.591 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -50.26 39.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.3 m -79.85 -31.52 40.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.533 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 97.9 m-85 -107.17 -9.04 16.24 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.533 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.6 OUTLIER 82.57 148.3 0.08 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.069 0.461 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.87 -48.52 64.01 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.816 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.47 -49.53 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . 0.531 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 4.6 t80 -76.19 -28.68 57.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.997 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.54 -56.97 14.94 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 118.664 -1.215 . . . . 0.0 108.523 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.08 -44.32 10.23 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.895 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.76 -34.54 74.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.9 OUTLIER -71.28 -49.9 38.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.68 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -50.62 -48.66 26.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.735 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 41.8 t -50.59 -66.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.817 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.94 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' Q' ' 75' ' ' ASP . 85.5 t -65.83 -51.9 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.466 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 48.4 mt -53.75 -37.74 63.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 95.7 mtt180 -68.52 -15.41 63.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' Q' ' 72' ' ' VAL . 18.1 t0 -54.49 -32.9 58.83 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . 0.465 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 8.0 mmt -86.8 -134.48 0.07 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 104.056 -2.572 . . . . 0.0 104.056 174.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . 0.452 ' CZ ' ' O ' ' Q' ' 76' ' ' MET . 12.6 mmp_? -132.46 68.27 1.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 177.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 26.2 mmt -111.11 49.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.471 -1.695 . . . . 0.0 109.611 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.32 -22.56 66.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.354 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 35.9 tt0 -97.32 -55.26 2.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.92 -56.47 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.443 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -54.81 -20.64 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -65.94 -36.38 83.21 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -64.5 -30.3 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.264 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.646 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.1 mm? -74.86 -45.0 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.151 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -68.39 -6.99 27.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -84.97 2.43 42.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.117 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -78.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.617 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.463 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.73 52.76 0.79 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -87.13 -38.11 16.75 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -76.27 -43.37 42.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.43 -43.8 75.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.86 -49.64 71.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.076 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.46 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.022 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.77 -58.64 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.688 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.694 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.4 mt -55.82 -40.78 73.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.456 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -56.62 -30.13 62.92 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.381 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -92.0 -42.53 13.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.33 -26.14 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.07 -25.2 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.568 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -82.46 -9.39 59.45 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.68 116.21 12.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.463 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.45 154.93 86.79 Favored Pre-proline 0 C--N 1.321 -0.671 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.22 -178.183 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -32.82 -43.19 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 123.716 2.944 . . . . 0.0 114.459 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.62 -43.04 73.52 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.02 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 38.8 mp0 -71.14 -31.71 68.06 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.506 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -61.41 -45.85 92.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -63.9 -48.61 75.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -40.03 96.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.62 ' O ' HD13 ' Q' ' 27' ' ' LEU . 67.6 t80 -47.33 -48.2 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -58.1 -40.81 82.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ttt -76.62 -48.01 20.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.897 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.75 -9.88 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.03 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.62 HD13 ' O ' ' Q' ' 23' ' ' PHE . 0.3 OUTLIER -75.76 -38.04 58.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.357 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.46 28.36 9.18 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.4 m -120.85 -50.18 2.18 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . 0.499 ' O ' HG13 ' Q' ' 30' ' ' VAL . 4.0 p -61.41 119.3 45.32 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -38.59 150.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.165 1.91 . . . . 0.0 113.075 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -119.9 134.38 55.26 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.586 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -68.55 165.72 18.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -64.7 103.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.39 -17.44 1.15 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.3 m-85 -127.45 155.0 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -129.75 -177.57 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.853 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.17 168.82 6.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.819 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' Q' ' 39' ' ' ILE . 14.9 mm -82.53 116.31 63.08 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -38.57 126.45 1.04 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.72 1.613 . . . . 0.0 111.974 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.39 -41.28 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.023 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.47 -18.58 77.11 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.57 -9.44 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.58 3.58 9.21 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.724 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -85.64 -129.0 2.17 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.56 -0.746 . . . . 0.0 113.26 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' Q' ' 46' ' ' GLN . 2.0 mm100 -45.86 3.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 9.2 mp -74.4 104.99 5.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.867 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 26.4 m-20 -82.68 168.24 17.44 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.694 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.66 -18.67 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.78 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 30.1 t -76.03 -65.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -69.51 -31.9 70.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.762 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.405 ' O ' HD12 ' Q' ' 56' ' ' LEU . 18.5 tp -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 15.6 m -72.05 -43.56 64.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 13.3 t70 -59.33 -46.69 87.92 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.748 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -57.91 -46.89 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.475 HD21 HD23 ' Q' ' 27' ' ' LEU . 11.1 mt -67.21 -51.21 56.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.352 0.596 . . . . 0.0 110.077 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.07 -35.69 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.531 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -44.16 68.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.036 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 71.2 m -79.15 -38.31 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.504 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 92.6 m-85 -103.95 -0.88 28.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.158 -0.339 . . . . 0.0 111.77 -178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 73.52 150.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.72 -42.7 71.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -72.54 -51.12 21.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -78.35 -25.38 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.798 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.45 -57.24 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.568 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.66 12.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.811 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.15 -42.09 98.92 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.587 ' O ' HG23 ' Q' ' 72' ' ' VAL . 4.9 tt -67.96 -51.45 47.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.997 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 88.5 t -56.15 -49.68 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.571 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 7.2 t -51.42 -61.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.59 -30.2 29.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.587 HG23 ' O ' ' Q' ' 68' ' ' LEU . 91.2 t -68.07 -51.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.016 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 59.1 mt -56.47 -42.83 78.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -57.26 -40.5 77.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.34 -27.32 67.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.718 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtp -85.29 22.97 1.37 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 60.54 32.89 20.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.239 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.5 mmt -120.58 70.93 0.9 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.61 -42.2 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.89 -48.48 78.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.539 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.2 -56.18 25.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 111.057 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.571 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -57.66 -32.21 67.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.86 81.69 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.8 mmt-85 -66.52 -27.41 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.42 -45.17 69.8 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.55 -17.32 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.118 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -86.01 9.82 15.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.53 -88.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.451 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.572 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.72 52.96 0.88 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 27.8 m -92.9 -37.26 12.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.078 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -76.26 -46.97 25.5 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -56.31 -29.12 60.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.02 -46.58 13.75 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.237 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.34 77.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.007 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.81 -57.18 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.136 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.98 -35.66 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.705 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.58 -40.21 74.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.7 -39.66 13.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.0 -35.27 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.798 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.76 -21.7 66.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.768 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -83.8 -10.22 58.23 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.66 119.59 15.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -63.49 152.12 86.28 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -32.23 -39.97 0.1 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 123.093 2.529 . . . . 0.0 112.64 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.52 -54.67 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.651 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.49 -28.49 69.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.764 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.1 -44.47 97.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -65.02 -50.1 67.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.944 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -61.57 -38.59 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 56.5 t80 -47.98 -49.42 30.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.533 . . . . 0.0 109.939 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.615 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 81.2 mttt -56.48 -45.33 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.347 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.6 mmt -76.41 -48.76 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.584 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -60.73 -10.97 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 7.4 mt -72.33 -25.16 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.611 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.13 28.17 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 80.7 p -120.22 -48.11 2.34 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -53.5 134.56 53.51 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.825 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.71 148.39 71.63 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.543 1.495 . . . . 0.0 111.22 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.472 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.5 mm? -113.29 134.51 54.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.331 0.586 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 2.0 mpt_? -68.46 176.28 2.95 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.645 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 37.2 mt-10 31.5 -95.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.343 0.402 . . . . 0.0 111.452 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' Q' ' 33' ' ' ARG . . . -167.78 88.61 0.1 OUTLIER Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.19 166.06 11.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.163 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.29 140.75 29.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.396 0.617 . . . . 0.0 111.386 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' Q' ' 38' ' ' ARG . 14.1 mmt180 -64.61 -146.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.809 HG21 HD21 ' Q' ' 44' ' ' LEU . 38.7 mm -133.02 99.0 15.29 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -37.24 123.02 0.42 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.305 2.003 . . . . 0.0 112.024 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.49 -21.61 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.049 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.19 -27.37 28.31 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.078 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -81.74 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.661 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.809 HD21 HG21 ' Q' ' 39' ' ' ILE . 72.6 mt -71.88 -46.13 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.186 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.67 19.99 8.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -127.91 -41.36 1.64 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.528 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.438 HD11 ' HB1' ' Q' ' 43' ' ' ALA . 16.1 mt -82.66 124.17 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -85.31 173.78 10.08 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -21.09 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.956 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.63 -65.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.178 0.513 . . . . 0.0 110.02 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -27.73 63.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -65.72 -34.53 78.42 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -72.38 -44.05 63.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.658 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -57.55 -45.46 85.09 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.325 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -56.79 -46.43 81.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.2 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.13 -52.01 32.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.436 0.636 . . . . 0.0 110.545 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.81 -36.94 78.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.883 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.02 -43.81 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 111.177 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -78.86 -36.84 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.55 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.1 m-85 -108.43 -1.23 20.04 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.62 152.5 0.13 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.748 -0.595 . . . . 0.0 109.823 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -55.76 -43.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' Q' ' 64' ' ' TYR . 3.2 p30 -74.32 -48.96 24.96 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' Q' ' 63' ' ' ASP . 1.8 t80 -74.31 -30.13 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -60.84 -57.59 12.01 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.653 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.549 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.09 -40.98 7.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.753 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 3.3 tt -66.53 -47.0 74.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.442 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.9 t -59.02 -50.0 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.984 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.549 HG23 ' O ' ' Q' ' 66' ' ' ALA . 48.6 t -50.68 -62.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.104 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.92 -32.1 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.425 HG23 ' O ' ' Q' ' 68' ' ' LEU . 54.2 t -65.82 -50.14 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.674 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 47.0 mt -57.18 -43.61 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -55.03 -40.23 70.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.224 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.83 -30.71 70.96 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 33.5 mtm -84.59 30.09 0.57 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.046 0.45 . . . . 0.0 110.628 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? 52.76 28.92 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.261 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -110.37 68.85 0.68 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.13 -40.12 75.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.403 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.4 -50.45 69.81 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.15 -56.29 23.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -58.03 -37.89 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.05 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.84 -29.18 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.636 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.9 tt -70.06 -43.22 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.116 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.93 -13.35 6.17 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -85.21 12.26 8.33 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.44 -82.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.646 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.356 179.715 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . 0.447 ' SD ' ' N ' ' Q' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.6 63.63 3.85 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -92.09 -39.69 11.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.686 0.279 . . . . 0.0 111.048 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -72.79 -45.52 58.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.33 -35.62 65.37 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.07 -45.64 48.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.993 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.22 94.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.124 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.0 -59.73 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.4 -35.61 63.05 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.574 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . 0.41 ' O ' ' OD1' ' Q' ' 14' ' ' ASN . 5.1 mptt -56.58 -39.6 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 m -87.72 -38.65 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.56 -37.2 82.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.558 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.52 -22.38 66.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' Q' ' 10' ' ' LYS . 2.2 m120 -83.08 -10.83 58.49 Favored 'General case' 0 CA--C 1.513 -0.461 0 C-N-CA 120.521 -0.471 . . . . 0.0 109.758 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.3 mt -71.59 118.0 13.86 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.83 155.01 90.81 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -30.86 -48.46 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 123.482 2.788 . . . . 0.0 113.846 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -49.17 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' Q' ' 19' ' ' GLU . 20.6 mp0 -67.45 -29.93 69.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.18 -52.65 64.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.73 -48.15 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.524 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -61.95 -38.9 90.23 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.062 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 73.0 t80 -50.86 -46.44 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.213 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.508 ' NZ ' ' CB ' ' Q' ' 24' ' ' LYS . 5.1 mtmp? -58.96 -49.81 76.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.708 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mtp -69.93 -42.68 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.366 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -66.61 -7.91 23.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' Q' ' 27' ' ' LEU . 11.6 tp -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.405 0.621 . . . . 0.0 110.04 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 38.47 3.11 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -129.29 -40.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.153 0.501 . . . . 0.0 109.857 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.52 114.81 9.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.356 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -46.86 148.54 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.649 1.566 . . . . 0.0 111.604 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.454 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.0 mm? -115.01 144.18 44.01 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.167 0.508 . . . . 0.0 111.007 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 80.1 mtt180 -67.76 -173.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.12 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 0.4 OUTLIER 14.67 -91.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.015 0.822 . . . . 0.0 112.263 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.97 81.82 0.12 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.642 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -97.72 161.4 13.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 7.2 mp0 -88.1 137.47 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.305 0.574 . . . . 0.0 110.662 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -60.8 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.8 111.97 57.67 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -40.13 126.43 1.93 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.03 1.82 . . . . 0.0 112.202 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -47.9 -21.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.39 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.36 -3.5 57.58 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.18 -12.82 42.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.753 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.48 ' C ' ' NZ ' ' Q' ' 24' ' ' LYS . 12.1 mt -77.85 -73.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.43 29.15 3.27 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.353 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -127.57 -40.0 1.8 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.991 0.424 . . . . 0.0 112.071 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.6 131.44 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' Q' ' 48' ' ' ASP . 0.8 OUTLIER -81.23 169.48 17.27 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -22.89 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.979 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.22 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.731 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.95 -29.86 69.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.754 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.9 OUTLIER -64.65 -34.99 79.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 44.3 m -73.3 -44.35 59.25 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.003 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 51.0 t0 -60.42 -40.45 91.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.318 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.48 -47.52 85.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.404 HD21 HD21 ' Q' ' 27' ' ' LEU . 16.7 mt -63.1 -50.1 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.584 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.45 -34.06 67.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.568 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.51 -42.89 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -82.67 -36.39 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.567 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.3 m-85 -110.66 -6.01 14.91 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.567 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 80.38 153.18 0.12 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.944 -0.473 . . . . 0.0 109.938 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -54.3 -37.02 64.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.12 -51.81 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -78.16 -30.73 49.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.098 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.73 -60.67 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.168 -1.013 . . . . 0.0 108.999 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.57 -44.45 12.85 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.22 -32.23 72.87 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -70.54 -49.44 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.153 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.83 -41.93 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.681 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.707 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 15.6 t -53.16 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.016 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.45 -30.41 2.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 90.3 t -66.13 -52.6 46.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.625 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.15 -40.06 76.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.5 mtt180 -67.43 -15.33 63.62 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.959 178.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 11.1 t70 -55.41 -33.31 63.41 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 41.4 mmm -86.06 -136.42 0.07 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.71 68.25 1.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -120.21 66.59 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.774 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . 0.416 ' N ' HD12 ' Q' ' 79' ' ' LEU . 10.3 mp -72.32 -15.66 61.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.07 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 8.3 mm-40 -92.82 -53.59 4.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.102 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.91 -54.54 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.891 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.707 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -53.52 -23.42 10.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -65.44 -37.99 88.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -63.56 -31.13 72.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.27 -48.41 65.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.64 -19.17 64.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -86.29 -7.72 58.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.037 0.446 . . . . 0.0 110.319 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.14 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.798 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.527 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tpt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.35 58.16 0.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -90.42 -35.33 15.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.405 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -74.64 -44.83 48.51 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -55.6 -40.76 72.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.57 -48.6 71.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.93 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.88 91.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.27 -59.42 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.066 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.727 HD21 ' O ' ' Q' ' 49' ' ' ILE . 10.8 mt -55.93 -40.11 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.15 -31.06 61.04 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.036 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.52 -41.95 13.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.03 -25.18 67.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.697 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.2 -22.89 63.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -84.98 -8.91 58.54 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.25 118.72 12.49 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.515 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 9.2 p -65.96 150.58 96.42 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.906 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -31.86 -49.45 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 123.541 2.827 . . . . 0.0 114.264 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -70.82 -31.16 67.81 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.652 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -77.81 -33.42 52.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . 0.63 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 48.9 tp -61.38 -49.34 77.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -60.93 -51.86 67.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.163 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -63.1 -40.81 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.322 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . 0.54 ' O ' HD13 ' Q' ' 27' ' ' LEU . 85.9 t80 -50.67 -60.38 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.63 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 41.7 mttp -48.19 -37.8 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.49 -41.21 33.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.957 0.408 . . . . 0.0 110.973 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -63.45 -9.26 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.185 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.777 HD21 HD11 ' Q' ' 56' ' ' LEU . 6.7 mp -67.14 -26.82 66.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.29 32.63 6.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -120.08 -51.79 2.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.222 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 2.9 t -57.08 127.76 76.51 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.118 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . 0.475 ' C ' HD12 ' Q' ' 32' ' ' LEU . 89.4 Cg_exo -43.06 147.97 0.62 Allowed 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.936 1.757 . . . . 0.0 112.76 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . 0.475 HD12 ' C ' ' Q' ' 31' ' ' PRO . 9.5 mp -123.3 117.02 24.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . 0.517 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 2.0 mpt_? -66.82 -177.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.335 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . 0.578 ' CD ' ' H ' ' Q' ' 34' ' ' GLU . 1.7 mp0 -66.23 127.19 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 -27.28 8.33 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -107.27 138.89 42.63 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 9.7 mp0 -122.28 174.01 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 149.76 46.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.357 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.508 ' CD1' HD23 ' Q' ' 27' ' ' LEU . 10.3 mt -83.96 129.17 59.96 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . 0.442 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 23.8 Cg_exo -37.62 116.16 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.171 1.914 . . . . 0.0 112.287 178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . 0.457 ' H ' ' HD3' ' Q' ' 41' ' ' ARG . 0.7 OUTLIER -70.49 -17.02 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.931 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.4 -27.75 14.57 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.263 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -81.72 -19.01 42.35 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.864 0.332 . . . . 0.0 111.323 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.442 HD21 HG21 ' Q' ' 39' ' ' ILE . 57.5 mt -66.27 4.21 0.76 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.191 -0.603 . . . . 0.0 109.871 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -66.21 -124.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.829 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' Q' ' 46' ' ' GLN . 15.4 mt-30 -47.55 6.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 91.6 mt -77.17 118.95 20.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 119.095 0.861 . . . . 0.0 110.575 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 15.2 m-20 -81.79 164.56 21.59 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.727 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.64 -18.57 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.279 -179.506 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 7.1 t -75.25 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.25 -31.85 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.948 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . 0.763 HD22 ' O ' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.56 -33.71 76.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.36 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . 0.667 ' N ' HD13 ' Q' ' 52' ' ' LEU . 16.8 m -70.72 -47.12 61.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.0 t70 -54.34 -42.2 69.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.094 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -58.32 -42.06 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.825 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.777 HD11 HD21 ' Q' ' 27' ' ' LEU . 11.1 mt -68.42 -54.4 17.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.437 0.637 . . . . 0.0 110.098 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.45 -33.11 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.647 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.89 -48.88 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.947 0.403 . . . . 0.0 111.589 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 46.4 m -78.59 -35.45 45.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.546 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 93.1 m-85 -107.62 -6.29 17.01 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.546 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.73 151.74 0.12 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -54.43 -40.42 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.0 -50.24 24.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . 0.517 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.3 t80 -79.24 -28.35 42.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.544 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.26 -62.24 1.98 Allowed 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.038 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.606 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.44 -44.81 8.73 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.4 OUTLIER -67.96 -53.37 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.431 178.721 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . 0.48 HG22 HD13 ' Q' ' 56' ' ' LEU . 48.2 t -59.64 -48.54 87.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.606 HG23 ' O ' ' Q' ' 66' ' ' ALA . 30.7 t -49.14 -62.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.311 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . 0.428 ' O ' ' OD2' ' Q' ' 75' ' ' ASP . . . -53.89 -28.77 38.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.438 HG23 ' O ' ' Q' ' 68' ' ' LEU . 69.3 t -68.13 -51.48 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 32.0 mt -58.36 -43.82 88.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.094 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -55.68 -40.03 71.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Q' ' 71' ' ' ALA . 14.0 m-20 -67.03 -27.59 67.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 74.4 mtp -84.52 28.68 0.64 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 56.14 28.42 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.395 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' Q' ' 81' ' ' GLU . 11.6 mmt -116.95 69.07 0.75 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . 0.493 HD12 ' N ' ' Q' ' 79' ' ' LEU . 10.6 mp -71.48 -42.78 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.569 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . 0.639 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 8.1 tp10 -62.59 -49.64 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 54.5 mp0 -58.78 -54.4 47.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.134 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -52.85 -31.7 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.404 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -63.74 -31.05 72.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.533 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.3 tt -69.57 -52.72 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.616 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -8.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.528 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 46.8 ttt180 -85.34 -4.83 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.82 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.64 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.389 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 1' ' ' MET . . . . . 0.445 ' O ' ' O ' ' Q' ' 2' ' ' GLY . 49.5 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 2' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' Q' ' 1' ' ' MET . . . 22.2 103.97 0.0 OUTLIER Glycine 0 N--CA 1.472 1.081 0 O-C-N 124.019 0.825 . . . . 0.0 112.836 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -87.22 -38.2 16.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 4' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' Q' ' 63' ' ' ASP . 73.3 mttt -75.88 -43.84 43.49 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.38 -32.61 66.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.91 -49.62 28.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.781 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.48 82.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.091 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mt -64.82 -60.02 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 9' ' ' LEU . . . . . 0.654 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.7 mt -56.03 -39.87 72.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.415 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -32.05 63.79 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.367 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 79.3 t -90.55 -41.0 13.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.04 -26.82 69.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.158 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.49 -24.07 63.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.656 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -84.34 -8.6 58.95 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.086 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.93 118.55 14.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 41.6 p -64.45 148.03 96.75 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.589 -178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -35.11 -38.54 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.215 0 C-N-CA 122.532 2.154 . . . . 0.0 112.883 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.19 -40.62 64.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.204 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.9 mt-10 -70.57 -29.18 65.55 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 20' ' ' LEU . . . . . 0.575 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 30.6 tp -62.25 -38.11 88.03 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -64.05 -50.87 66.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.296 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -63.98 -40.25 95.97 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.414 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -47.59 -49.42 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.185 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 24' ' ' LYS . . . . . 0.575 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 35.2 mttp -59.82 -49.25 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.85 -45.88 69.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.186 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -65.63 -8.2 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.144 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 27' ' ' LEU . . . . . 0.559 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -72.56 -33.94 67.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.643 0.735 . . . . 0.0 109.305 177.456 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 35.39 4.03 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.941 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -123.81 -42.33 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.56 118.7 33.56 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.837 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -42.9 144.95 1.26 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.894 1.73 . . . . 0.0 112.025 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -119.6 128.05 53.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.78 170.64 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.3 107.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.466 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.17 -37.39 1.77 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.65 147.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.204 0.526 . . . . 0.0 109.645 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -131.2 -176.74 4.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.218 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.29 159.05 13.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.687 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.652 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.9 mm -82.29 124.79 77.97 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.197 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -39.96 128.01 2.01 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.29 1.993 . . . . 0.0 112.492 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 41' ' ' ARG . . . . . 0.44 ' N ' ' CD ' ' Q' ' 41' ' ' ARG . 0.9 OUTLIER -71.42 -26.0 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.234 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 -27.35 37.77 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.438 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 43' ' ' ALA . . . . . 0.774 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -82.19 -13.25 57.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.278 0.539 . . . . 0.0 111.766 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 44' ' ' LEU . . . . . 0.652 HD21 HG21 ' Q' ' 39' ' ' ILE . 56.4 mt -71.85 0.76 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.759 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 45' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -69.87 -124.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.999 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -50.25 7.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 47' ' ' LEU . . . . . 0.774 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.4 mp -74.84 113.64 12.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.671 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 48' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 9.2 m-20 -81.75 166.55 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.075 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 49' ' ' ILE . . . . . 0.654 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -49.53 -17.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.054 -179.329 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Q' Q ' 50' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 14.6 t -75.85 -61.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.878 0.37 . . . . 0.0 110.023 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.71 -31.7 70.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -39.59 94.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 55.3 m -72.41 -45.32 60.25 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.168 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 54' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 14.2 t70 -58.59 -41.26 85.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.202 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -57.27 -56.73 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 56' ' ' LEU . . . . . 0.436 HD23 HD11 ' Q' ' 39' ' ' ILE . 19.5 mt -64.66 -46.99 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.88 -35.17 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 58' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.28 -45.72 65.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.718 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 -37.44 29.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 60' ' ' TYR . . . . . 0.539 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 69.2 m-85 -104.63 -6.96 19.99 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.098 0.408 . . . . 0.0 112.074 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 61' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.55 151.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.752 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.43 -34.7 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 63' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' Q' ' 4' ' ' LYS . 6.1 m-20 -74.17 -52.11 13.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -78.87 -30.26 44.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.764 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 65' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.3 -59.46 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.701 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 66' ' ' ALA . . . . . 0.795 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.33 -45.81 12.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.92 -35.73 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 68' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.3 OUTLIER -70.59 -54.97 9.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.043 178.188 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Q' Q ' 69' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 48.7 t -58.36 -51.11 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.711 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 70' ' ' VAL . . . . . 0.795 HG23 ' O ' ' Q' ' 66' ' ' ALA . 70.1 t -49.49 -62.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.395 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.88 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 72' ' ' VAL . . . . . 0.452 HG23 ' O ' ' Q' ' 68' ' ' LEU . 52.2 t -68.15 -50.84 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.099 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 73' ' ' LEU . . . . . 0.6 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 52.6 mt -57.01 -42.98 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.21 -40.8 82.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Q' ' 75' ' ' ASP . 33.1 t0 -64.24 -29.48 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.255 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 56.4 mtp -84.94 29.48 0.63 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 58.34 35.48 24.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.6 mtt -116.74 64.94 0.71 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 79' ' ' LEU . . . . . 0.479 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.6 mm? -69.45 -24.28 63.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.752 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -84.47 -53.76 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.442 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -56.88 -52.85 63.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.522 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 82' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -56.31 -31.73 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.376 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.02 98.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -64.47 -31.04 72.08 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 85' ' ' LEU . . . . . 0.591 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.6 tt -70.82 -47.37 59.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.929 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -6.07 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 87' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 38.5 ttt85 -85.72 -1.33 57.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.452 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.69 38.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 89' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.389 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.017 0 N-CA-C 112.871 -0.091 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 79.4 m -88.51 -39.36 14.24 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.783 0.325 . . . . 0.0 110.235 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' Q' ' 66' ' ' ALA . 22.5 mtpt -77.27 -43.12 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.5 -29.06 65.97 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.05 -49.79 12.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.558 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.96 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mt -62.43 -63.23 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.592 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.54 -39.41 70.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -28.65 56.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.224 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.25 -43.03 13.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.433 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.33 -28.4 69.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.179 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.37 -20.46 62.96 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.297 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.15 -9.69 54.61 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.68 117.25 13.02 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.518 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 3.2 p -65.84 150.82 95.99 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.766 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -32.2 -37.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 123.465 2.777 . . . . 0.0 114.179 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -73.78 -36.14 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.778 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' Q' ' 16' ' ' THR . 66.7 mt-10 -77.08 -33.27 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.944 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.32 -46.82 88.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -61.09 -51.02 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.805 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -62.35 -40.33 96.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.148 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 71.7 t80 -49.4 -51.35 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.098 0.475 . . . . 0.0 110.22 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 37.7 mttm -56.13 -50.01 72.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.53 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.83 -44.1 56.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.057 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.95 -11.02 15.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.761 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.492 HD13 HD21 ' Q' ' 56' ' ' LEU . 6.4 mt -74.58 -26.23 59.8 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.651 -0.82 . . . . 0.0 108.865 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 30.67 7.08 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -123.39 -45.15 2.1 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' Q' ' 32' ' ' LEU . 37.4 t -63.22 115.68 19.59 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.686 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . 0.451 ' C ' HD22 ' Q' ' 32' ' ' LEU . 76.0 Cg_exo -46.77 146.04 6.07 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.711 1.607 . . . . 0.0 111.833 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' Q' ' 30' ' ' VAL . 4.3 mm? -117.04 153.59 32.42 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.223 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -65.53 166.04 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' Q' ' 36' ' ' PHE . 50.8 mm-40 -32.86 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.88 1.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.582 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . 0.547 ' H ' ' C ' ' Q' ' 34' ' ' GLU . 16.2 m-85 -111.69 147.21 36.06 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.575 0.687 . . . . 0.0 109.984 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -137.71 -176.95 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.699 0.761 . . . . 0.0 111.328 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . 0.541 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -67.82 171.16 6.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.98 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.546 HD13 ' HZ2' ' Q' ' 55' ' ' LYS . 1.2 mm -80.24 122.25 82.64 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' HZ2' ' Q' ' 55' ' ' LYS . 55.5 Cg_exo -39.95 146.08 0.26 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 121.841 1.694 . . . . 0.0 111.872 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -57.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.114 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.19 -10.15 9.37 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.499 -0.381 . . . . 0.0 112.832 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.56 -9.58 57.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.288 0.544 . . . . 0.0 111.758 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.525 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 14.1 mt -79.31 -67.43 0.76 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.24 32.2 4.49 Favored Glycine 0 N--CA 1.468 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.691 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -126.86 -43.86 1.67 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.576 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.407 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 8.1 mt -82.48 135.54 35.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.788 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 172.14 13.23 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -25.17 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.448 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.08 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.203 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.11 -30.98 70.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.583 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.21 -36.19 82.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 21.8 m -72.12 -47.61 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.945 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 18.5 t70 -58.21 -45.2 88.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.035 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . 0.546 ' HZ2' HD13 ' Q' ' 39' ' ' ILE . 25.8 tptp -62.75 -39.03 92.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.492 HD21 HD13 ' Q' ' 27' ' ' LEU . 15.1 mt -70.0 -54.49 12.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.576 0.703 . . . . 0.0 109.353 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' Q' ' 61' ' ' TYR . 53.5 t -63.55 -41.36 92.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.499 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.31 -39.2 78.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.529 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 86.6 p -79.88 -36.73 36.16 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.534 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.1 m-85 -109.19 -3.86 16.96 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.551 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.56 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.99 -35.58 69.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.533 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -74.77 -51.85 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -78.21 -29.5 48.36 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.642 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.36 -59.36 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.794 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.415 ' HB3' ' NZ ' ' Q' ' 4' ' ' LYS . . . -45.51 -42.09 10.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.718 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.1 -42.97 96.71 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.476 ' O ' HG23 ' Q' ' 72' ' ' VAL . 20.4 tp -66.92 -47.66 71.05 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.307 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.0 -49.93 79.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.405 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.568 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 5.3 t -50.23 -62.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.14 28.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.476 HG23 ' O ' ' Q' ' 68' ' ' LEU . 87.5 t -68.71 -51.87 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.855 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 26.5 mt -55.54 -43.33 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -54.48 -38.56 66.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.032 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.65 -31.61 72.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 23.4 mtm -84.89 28.66 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.24 34.61 20.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.219 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mmm -120.01 65.83 0.82 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.65 -49.27 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.206 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 79.8 mt-10 -62.72 -44.62 95.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' Q' ' 81' ' ' GLU . 28.2 mp0 -59.07 -56.21 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.473 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.568 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -52.71 -26.86 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -63.74 -37.99 89.44 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -64.25 -28.0 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.84 -44.92 72.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -57.43 -17.74 14.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 . . . . . 0 C--N 1.332 -0.158 0 CA-C-O 120.814 0.34 . . . . 0.0 110.165 179.835 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 86.1 m -90.92 -29.77 17.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -76.52 -42.89 41.6 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.42 -45.24 76.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.57 -50.63 73.14 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.203 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.34 86.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.277 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.15 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.694 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.8 mt -54.27 -40.2 67.6 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.353 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -32.13 63.72 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.935 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.46 -42.1 14.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.94 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.666 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.97 -23.5 62.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.241 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . 0.427 ' N ' HD22 ' Q' ' 14' ' ' ASN . 2.7 m120 -86.28 -9.61 56.14 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.102 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.8 114.79 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.471 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.91 156.98 82.15 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.658 -178.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -32.43 -46.97 0.28 Allowed 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.829 3.019 . . . . 0.0 115.05 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' Q' ' 18' ' ' GLU . 26.9 mp0 -70.27 -35.94 74.09 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.508 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 57.6 mp0 -75.43 -32.18 60.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.26 -48.31 80.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -63.18 -46.61 86.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.382 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -67.53 -42.49 82.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 86.6 t80 -45.98 -53.79 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.45 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 40.6 mttm -57.81 -38.83 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.605 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 8.9 ttm -77.84 -46.99 19.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -62.8 -11.37 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.951 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.601 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.2 mt -73.98 -33.93 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.24 28.4 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.5 m -125.67 -50.76 1.61 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 110.119 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . 0.476 ' O ' HG13 ' Q' ' 30' ' ' VAL . 9.2 p -61.26 122.23 68.65 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.599 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -39.34 147.52 0.15 Allowed 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.581 2.188 . . . . 0.0 113.951 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.522 HD22 ' N ' ' Q' ' 32' ' ' LEU . 3.4 mm? -106.89 137.94 44.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.456 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 69.6 mtt180 -69.36 -178.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.879 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 24.3 mm-40 25.29 -94.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.74 0.65 . . . . 0.0 111.973 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.74 82.15 0.11 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -100.94 159.48 15.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -96.8 145.89 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.29 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -64.05 164.31 10.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.716 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.728 HG21 HD21 ' Q' ' 44' ' ' LEU . 3.2 mm -83.51 125.54 73.6 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.057 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . 0.452 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 26.0 Cg_exo -37.77 116.61 0.21 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.915 1.743 . . . . 0.0 111.773 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.33 -17.15 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.869 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.11 -26.15 13.02 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.301 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.27 -8.65 59.42 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.971 0.385 . . . . 0.0 111.288 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.728 HD21 HG21 ' Q' ' 39' ' ' ILE . 60.8 mt -68.34 4.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.425 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -70.97 -127.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.787 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -49.7 7.04 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 65.2 mt -79.74 118.59 21.68 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.459 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.44 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 1.1 m-20 -83.24 169.95 15.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.694 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.35 -16.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.7 t -75.03 -63.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.407 . . . . 0.0 110.402 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.75 -32.01 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.075 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.756 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -64.1 -36.3 83.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.539 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.563 ' N ' HD13 ' Q' ' 52' ' ' LEU . 41.7 m -71.61 -44.02 65.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.178 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 9.9 t70 -59.13 -40.69 86.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.745 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -59.21 -57.38 13.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.412 HD11 HD13 ' Q' ' 27' ' ' LEU . 28.8 mt -61.59 -48.04 82.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.358 0.599 . . . . 0.0 110.208 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 23.9 t -61.69 -34.41 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.87 -46.05 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -81.3 -37.9 27.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.549 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 71.5 m-85 -102.15 -6.97 22.62 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.068 -0.395 . . . . 0.0 111.752 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 80.54 147.77 0.09 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 110.946 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 32.1 mp0 -52.14 -48.55 64.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.35 -47.09 58.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -175.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -81.05 -28.32 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.042 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.87 -57.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 118.943 -1.103 . . . . 0.0 108.626 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.709 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.63 -47.6 10.45 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.58 -39.33 80.05 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -68.42 -50.0 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.47 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 61.3 t -60.62 -49.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.243 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.709 HG23 ' O ' ' Q' ' 66' ' ' ALA . 69.0 t -49.67 -61.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.63 51.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.446 HG23 ' O ' ' Q' ' 68' ' ' LEU . 53.9 t -66.18 -50.86 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.534 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.563 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 32.7 mt -58.32 -41.55 84.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -57.48 -40.8 79.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 109.885 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.87 -27.39 67.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mmm -83.84 22.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.343 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 60.5 32.79 20.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.223 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtp -113.81 64.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.47 -27.09 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.436 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' Q' ' 80' ' ' GLU . 10.4 mp0 -80.43 -50.45 10.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 111.201 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.49 -53.42 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.371 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -56.59 -34.66 67.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.298 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.13 99.46 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -64.07 -29.03 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.592 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.7 tt -71.14 -48.04 54.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.082 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -58.18 -9.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.698 0.285 . . . . 0.0 111.48 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.649 0.261 . . . . 0.0 110.422 179.627 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.588 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 80.1 m -89.81 -39.35 13.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -74.65 -46.88 35.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -56.51 -31.51 64.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -78.24 -47.05 18.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.432 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.45 92.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.33 -62.39 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.623 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.626 HD21 ' O ' ' Q' ' 49' ' ' ILE . 12.1 mt -53.61 -40.14 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.43 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -54.97 -30.87 60.12 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.525 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -91.85 -43.67 14.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.434 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.19 -25.49 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 109.31 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.4 -22.51 63.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.578 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.86 -9.7 58.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.85 116.88 12.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -66.17 151.81 95.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -31.08 -42.54 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.533 2.822 . . . . 0.0 113.858 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' Q' ' 18' ' ' GLU . 19.5 mp0 -69.85 -55.12 10.63 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.754 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 13.3 mp0 -60.24 -27.72 67.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.001 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . 0.559 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 28.0 tp -62.26 -42.67 99.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.32 -53.34 54.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.561 -1.199 . . . . 0.0 111.363 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -63.07 -40.76 98.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.546 ' O ' HD13 ' Q' ' 27' ' ' LEU . 88.9 t80 -49.11 -58.13 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.288 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.559 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 44.7 mttp -51.59 -37.25 49.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.445 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 48.1 mtp -78.86 -39.47 35.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.964 0.411 . . . . 0.0 110.401 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -65.93 -8.75 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.081 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.859 HD21 HD11 ' Q' ' 56' ' ' LEU . 6.0 mp -67.58 -27.72 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.31 31.25 6.49 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.418 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -121.09 -47.37 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.01 0.433 . . . . 0.0 109.868 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.68 118.43 19.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.46 144.84 1.83 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.661 1.574 . . . . 0.0 111.637 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.53 131.81 56.64 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.533 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 0.1 OUTLIER -69.85 176.22 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.8 99.17 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.53 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.72 -23.74 1.04 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 3.4 m-85 -121.75 154.13 37.34 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -135.08 -176.91 4.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.488 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -62.55 156.88 21.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.616 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.637 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.5 mm -82.26 130.08 61.07 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.701 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 42.7 Cg_exo -40.01 117.58 0.44 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.706 1.604 . . . . 0.0 111.671 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -67.9 -28.05 67.17 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.148 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.93 -27.84 48.45 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.565 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.02 -13.09 56.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.32 0.56 . . . . 0.0 112.01 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.637 HD21 HG21 ' Q' ' 39' ' ' ILE . 58.5 mt -69.3 6.48 1.0 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.917 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -72.2 -126.13 0.08 OUTLIER Glycine 0 CA--C 1.532 1.132 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.047 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . 0.406 ' HG3' ' H ' ' Q' ' 46' ' ' GLN . 23.2 mt-30 -45.55 5.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 78.8 mt -78.91 118.9 21.36 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.282 0.946 . . . . 0.0 111.032 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 2.1 m-20 -82.1 167.06 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.443 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.626 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.83 -19.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.041 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 61.2 t -74.58 -62.82 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 1.5 m-20 -68.54 -32.84 73.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.084 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.798 HD22 ' O ' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.27 -33.99 77.08 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.14 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.713 ' N ' HD13 ' Q' ' 52' ' ' LEU . 23.9 m -72.86 -46.2 54.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 9.9 t70 -56.47 -39.77 73.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.846 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -58.1 -53.38 58.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.859 HD11 HD21 ' Q' ' 27' ' ' LEU . 13.4 mt -63.3 -49.39 74.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.18 0.514 . . . . 0.0 109.71 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.66 -35.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.33 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.45 -46.07 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 111.081 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 24.3 p -81.76 -36.0 29.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.9 m-85 -107.28 -3.35 19.81 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.296 0.498 . . . . 0.0 112.302 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.9 152.63 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 110.025 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -54.45 -43.75 71.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.56 -49.97 28.77 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . 0.533 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.2 t80 -78.77 -28.87 44.79 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.157 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.84 -58.21 9.37 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.664 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.488 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.25 -43.74 10.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.825 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.37 -39.6 91.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 4.5 tt -68.56 -50.81 48.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.82 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.54 -47.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.536 ' CG1' ' HE ' ' Q' ' 74' ' ' ARG . 22.3 t -49.79 -63.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.64 -27.56 17.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.429 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.6 t -69.49 -52.9 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.639 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 46.3 mt -55.36 -44.1 75.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.79 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . 0.536 ' HE ' ' CG1' ' Q' ' 70' ' ' VAL . 93.3 mtt-85 -57.16 -38.93 74.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.433 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' NE ' ' Q' ' 77' ' ' ARG . 37.6 t70 -65.2 -30.17 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.041 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 43.8 mtm -83.71 26.37 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . 0.708 ' HE ' ' H ' ' Q' ' 77' ' ' ARG . 0.0 OUTLIER 58.42 36.02 25.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.8 mmt -120.19 68.09 0.84 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . 0.508 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.5 mm? -68.96 -21.55 64.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.995 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 38.5 mt-10 -82.4 -47.37 12.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.588 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -58.24 -57.86 11.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.9 -31.1 48.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.265 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.83 -45.63 93.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.34 -28.33 69.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.615 ' O ' HD23 ' Q' ' 85' ' ' LEU . 2.2 tt -71.08 -46.48 61.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.143 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 8.2 tm0? -57.69 -12.6 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.379 179.644 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.4 m -94.03 -35.97 12.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.683 0.278 . . . . 0.0 110.356 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -75.17 -45.36 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -57.89 -25.5 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -49.78 8.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.812 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.53 -62.73 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.687 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.34 -39.42 69.99 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -55.89 -32.31 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.787 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . 0.734 HG21 HD21 ' Q' ' 85' ' ' LEU . 31.9 t -90.49 -42.04 13.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.222 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.69 -28.11 69.17 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.689 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.23 -21.38 64.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.208 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' Q' ' 14' ' ' ASN . 1.8 m-20 -84.16 -11.62 56.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.87 117.67 13.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.549 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 75.4 p -65.64 147.46 98.69 Favored Pre-proline 0 C--N 1.32 -0.707 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.55 -178.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -33.99 -39.21 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.926 2.417 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' Q' ' 18' ' ' GLU . 20.5 mp0 -73.53 -38.21 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.21 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' Q' ' 16' ' ' THR . 34.4 mt-10 -71.27 -30.65 66.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.168 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.06 -38.73 87.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -63.63 -52.86 58.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.339 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -65.08 -40.88 95.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.407 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 87.3 t80 -47.74 -62.29 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.436 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -54.06 -36.4 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.808 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.1 ttt -74.23 -42.27 60.0 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -65.54 -8.49 20.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.68 -21.39 66.1 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.039 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.79 28.78 10.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 17.2 m -118.13 -50.17 2.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 4.9 t -59.11 121.1 52.97 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.165 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . 0.469 ' C ' HD12 ' Q' ' 32' ' ' LEU . 88.1 Cg_exo -40.92 147.56 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.007 1.805 . . . . 0.0 112.567 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' Q' ' 30' ' ' VAL . 8.0 mp -116.96 126.61 53.19 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -68.91 168.31 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.61 92.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.677 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.79 -17.46 0.56 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -117.81 147.38 43.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.288 0.566 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -121.34 179.41 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.362 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -67.1 169.64 8.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' Q' ' 39' ' ' ILE . 23.2 mm -83.59 114.95 56.97 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -37.82 125.36 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.786 1.657 . . . . 0.0 111.797 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -58.44 -41.07 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.253 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.13 -24.8 76.68 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.749 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.576 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -82.6 -7.01 59.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.37 6.81 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.318 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -76.35 -121.28 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.819 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -51.16 12.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.576 HD12 ' O ' ' Q' ' 43' ' ' ALA . 27.8 mt -72.39 97.98 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.15 166.91 20.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -22.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.457 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.44 -60.08 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.214 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.34 -33.23 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.76 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.4 -36.52 84.4 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.407 ' N ' HD13 ' Q' ' 52' ' ' LEU . 19.3 m -71.52 -48.1 51.0 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.899 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.7 t70 -57.14 -42.23 80.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.713 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -57.33 -54.65 44.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.954 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.64 -48.75 75.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.48 -35.06 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.42 -44.55 67.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -81.99 -37.48 26.56 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.542 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 84.3 m-85 -106.95 -6.22 17.68 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.73 152.9 0.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' Q' ' 62' ' ' GLU . 50.5 mp0 -57.46 -35.18 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.58 -52.32 13.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.7 -29.8 45.65 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.776 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.68 -60.5 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.889 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.463 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.11 -45.82 11.41 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.21 -38.35 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.57 ' O ' HD23 ' Q' ' 68' ' ' LEU . 2.5 tt -68.15 -48.79 64.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.568 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 93.7 t -56.04 -47.17 80.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.21 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.463 HG23 ' O ' ' Q' ' 66' ' ' ALA . 29.5 t -48.04 -64.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.389 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.76 -29.88 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.5 HG23 ' O ' ' Q' ' 68' ' ' LEU . 61.9 t -68.86 -54.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.591 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 44.5 mt -54.53 -42.08 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -56.55 -38.86 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.336 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.97 -28.88 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.35 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 64.5 mtt -85.64 23.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.194 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 59.07 50.63 7.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.89 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . 0.485 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 16.2 mmt -125.15 65.55 1.13 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.139 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . 0.579 HD12 ' N ' ' Q' ' 79' ' ' LEU . 8.1 mp -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.851 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -88.5 -52.08 5.36 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . 0.485 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 10.6 mt-10 -59.21 -57.26 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.967 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.1 -28.75 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.748 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.31 77.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -67.4 -29.11 68.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.824 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.734 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.2 mm? -73.52 -41.02 63.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' Q' ' 86' ' ' GLN . 2.2 tm0? -62.75 -3.86 1.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.872 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.902 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -88.94 -38.38 14.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.371 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.67 -43.15 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.8 -41.57 74.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.7 -48.34 72.33 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.4 mt -61.91 -60.84 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.622 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.5 mt -56.93 -37.72 71.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -57.53 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.17 -42.12 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.61 -26.28 67.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.941 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -84.62 -8.75 58.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.934 0.397 . . . . 0.0 109.966 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 70.7 mt -71.99 117.35 13.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.524 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.1 p -65.06 150.81 94.84 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -31.05 -41.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.178 0 C-N-CA 123.254 2.636 . . . . 0.0 113.633 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' Q' ' 18' ' ' GLU . 13.1 mp0 -72.03 -40.52 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.602 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.2 mt-10 -76.27 -29.3 57.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.08 -52.39 59.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.44 -47.33 86.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.94 -43.7 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.99 -47.43 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.066 0.46 . . . . 0.0 109.854 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -58.14 -43.67 87.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.27 -43.44 56.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.896 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -61.89 -8.8 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.098 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.583 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -68.76 -31.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.444 0.64 . . . . 0.0 109.363 177.578 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.95 27.23 6.1 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.3 m -117.04 -48.04 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.6 135.55 86.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.811 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -68.16 148.9 75.87 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.596 1.531 . . . . 0.0 111.463 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.431 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.1 mm? -117.79 130.02 56.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.426 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 84.2 mtt-85 -69.27 -172.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.41 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -70.31 124.28 23.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.4 -38.72 2.87 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.6 m-85 -105.02 150.38 24.99 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.367 0.604 . . . . 0.0 110.688 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -138.4 -176.1 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.541 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.02 157.38 22.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.98 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.753 HG21 HD21 ' Q' ' 44' ' ' LEU . 4.7 mm -82.11 128.58 67.43 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.478 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -38.52 113.12 0.14 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.986 1.791 . . . . 0.0 111.831 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -62.14 -24.68 67.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.9 -26.91 33.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.57 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.556 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.57 -10.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.969 0.385 . . . . 0.0 111.822 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.753 HD21 HG21 ' Q' ' 39' ' ' ILE . 74.1 mt -64.81 1.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.911 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.71 -115.34 0.04 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -47.99 2.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.556 HD12 ' O ' ' Q' ' 43' ' ' ALA . 22.3 mt -72.94 102.41 3.45 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.259 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -80.83 165.89 21.45 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.622 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.83 -20.29 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.925 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.27 -62.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.14 -31.35 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.461 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.43 HD13 ' O ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -63.87 -38.09 89.82 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -71.59 -44.69 64.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.787 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 28.6 t70 -60.0 -42.31 93.98 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.058 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -58.0 -54.14 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.217 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.57 -48.18 75.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.138 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . 0.4 ' CG1' ' OE2' ' Q' ' 62' ' ' GLU . 40.4 t -62.99 -35.58 72.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.37 -42.58 71.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 27.4 t -82.22 -38.04 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.519 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 81.4 m-85 -106.62 -3.84 20.24 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 75.05 155.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 36.1 mp0 -56.18 -37.11 69.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.217 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.98 -53.29 9.21 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . 0.426 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 2.9 t80 -75.54 -28.51 59.08 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.827 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.77 -57.37 13.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.786 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.08 -41.9 5.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -63.7 -42.53 97.97 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 12.9 tp -67.94 -52.12 39.73 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.49 -51.21 51.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 4.9 t -50.99 -62.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.643 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.63 -30.33 13.21 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.406 HG23 ' O ' ' Q' ' 68' ' ' LEU . 77.4 t -67.7 -50.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.449 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 27.0 mt -56.98 -43.39 81.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.777 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -55.61 -41.9 74.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.394 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.34 -29.03 70.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.812 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.6 mmm -86.37 32.25 0.64 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.438 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' Q' ' 77' ' ' ARG . 10.4 mpt_? 57.03 39.15 29.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.554 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mtt -120.66 58.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.26 -19.25 63.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -91.62 -47.27 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.958 0.409 . . . . 0.0 111.143 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' Q' ' 81' ' ' GLU . 16.7 mt-10 -60.68 -54.26 47.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -57.65 -30.31 65.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.5 81.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -66.44 -28.56 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.61 -45.57 68.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -62.07 -7.21 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.247 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 . . . . . 0 CA--C 1.53 0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.055 -179.749 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 21.9 m -88.8 -35.78 16.44 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -76.56 -42.84 41.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.04 -35.97 67.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.56 -49.19 50.59 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.57 90.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.116 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.9 -58.87 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.593 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.8 mt -56.47 -40.9 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . 0.424 ' O ' ' ND2' ' Q' ' 14' ' ' ASN . 0.4 OUTLIER -55.53 -33.89 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.288 -179.495 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.9 t -90.02 -43.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.72 -26.83 68.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.466 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -70.35 -24.5 62.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' Q' ' 10' ' ' LYS . 3.8 m-80 -84.92 -8.69 58.66 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.007 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.42 119.77 15.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.547 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 7.5 p -63.2 150.38 89.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -31.26 -43.97 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 123.226 2.617 . . . . 0.0 113.288 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.66 -39.55 70.24 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.486 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' Q' ' 16' ' ' THR . 46.6 mt-10 -73.82 -30.53 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.46 -54.0 43.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -63.07 -41.79 99.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -64.26 -41.41 96.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -47.77 -42.11 24.9 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -60.4 -43.34 96.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.55 -48.89 15.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.71 -10.65 28.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.332 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.99 -39.68 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 31.4 4.75 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 79.8 m -117.64 -40.75 3.0 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.88 136.53 93.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.674 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.24 149.24 88.86 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.268 1.312 . . . . 0.0 110.65 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -119.05 135.83 54.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.991 0.424 . . . . 0.0 110.134 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' Q' ' 36' ' ' PHE . 75.7 mtt-85 -68.75 169.61 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.231 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' Q' ' 36' ' ' PHE . 15.0 mm-40 -39.0 -88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.486 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -32.89 -26.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.189 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' Q' ' 34' ' ' GLU . 10.1 m-85 -100.93 133.15 45.85 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.507 0.67 . . . . 0.0 110.447 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.25 -177.63 3.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.792 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -66.93 170.04 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.168 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.575 ' CD1' ' HZ2' ' Q' ' 55' ' ' LYS . 3.4 mm -91.16 117.27 67.76 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -39.67 112.65 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.53 1.486 . . . . 0.0 111.643 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -61.25 -20.78 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.59 -26.84 28.81 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.274 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.811 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -82.64 -8.68 59.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.99 0.395 . . . . 0.0 111.929 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' Q' ' 44' ' ' LEU . 33.2 mt -73.04 1.08 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.817 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.56 -122.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.051 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . 0.414 ' HG2' ' H ' ' Q' ' 46' ' ' GLN . 38.7 mm-40 -50.88 11.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.811 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.7 mp -76.9 108.23 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 27.5 m-20 -82.8 169.31 16.26 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.593 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.69 -18.97 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.939 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 57.4 t -76.8 -63.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 109.889 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 0.9 OUTLIER -68.14 -32.94 73.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.549 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.11 -35.15 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 15.5 m -72.58 -45.48 58.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.5 t0 -59.12 -48.03 83.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.024 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . 0.575 ' HZ2' ' CD1' ' Q' ' 39' ' ' ILE . 26.2 tptp -58.78 -40.6 84.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.28 -55.68 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.142 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.32 -34.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.104 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.71 -45.9 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.4 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -81.61 -37.11 28.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' O ' ' O ' ' Q' ' 61' ' ' TYR . 96.4 m-85 -109.59 22.62 15.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.134 -0.354 . . . . 0.0 111.65 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 50.72 153.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.74 0.781 . . . . 0.0 112.181 178.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -52.95 -45.95 67.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.189 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' Q' ' 64' ' ' TYR . 5.4 p-10 -74.02 -50.3 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' Q' ' 63' ' ' ASP . 27.9 t80 -75.49 -26.5 58.21 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.161 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -61.63 -56.2 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.386 -0.926 . . . . 0.0 108.758 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.421 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -43.77 -44.01 6.44 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.833 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.83 -39.87 90.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -66.91 -51.02 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.302 178.725 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.35 -49.94 78.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.494 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.589 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 24.7 t -50.16 -64.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.86 -29.13 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.406 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.4 t -69.19 -50.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.641 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.49 -44.99 81.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.695 -0.402 . . . . 0.0 109.932 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -56.66 -40.72 75.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.294 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.66 -27.12 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.453 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtm -86.53 15.75 5.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.236 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 70.64 40.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.5 mmt -120.76 65.37 0.85 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . 0.553 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.2 mm? -70.41 -20.74 62.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.701 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.628 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 42.2 mt-10 -89.63 -50.51 6.03 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 55.5 mp0 -58.39 -51.43 69.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -53.11 -24.91 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -65.27 -30.71 71.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.836 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.16 -45.7 72.78 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.62 -19.31 37.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.204 179.761 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m -90.37 -40.3 12.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.781 0.324 . . . . 0.0 110.423 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -72.29 -45.68 59.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -56.91 -30.62 64.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -79.52 -47.04 16.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.138 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.08 89.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.804 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.42 -61.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.649 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.69 HD21 ' O ' ' Q' ' 49' ' ' ILE . 10.3 mt -53.3 -40.77 65.02 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.55 -33.76 60.69 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.821 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . 0.625 HG21 HD21 ' Q' ' 85' ' ' LEU . 40.6 t -91.64 -40.36 12.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.13 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.22 -26.72 67.93 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.403 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.33 -23.58 63.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.16 -10.5 56.63 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.908 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.56 119.34 15.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.544 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.7 p -66.31 151.3 96.07 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -31.81 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 123.211 2.608 . . . . 0.0 113.496 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -70.19 -36.32 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.628 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' Q' ' 16' ' ' THR . 41.9 mt-10 -75.71 -30.07 59.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.87 -55.07 33.64 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.45 -44.34 92.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.1 -38.79 92.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 44.3 t80 -50.55 -51.3 49.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 110.19 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -57.59 -48.74 78.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.962 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ttt -72.94 -42.09 63.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.239 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -62.21 -9.75 8.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.657 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.3 OUTLIER -72.02 -34.55 68.93 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.404 0.621 . . . . 0.0 109.558 177.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.67 30.59 3.45 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.211 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -129.46 -44.78 1.23 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.365 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.57 114.16 8.83 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.225 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.25 143.48 10.69 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.378 1.385 . . . . 0.0 110.687 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.667 HD22 ' N ' ' Q' ' 32' ' ' LEU . 1.9 mm? -103.68 150.27 24.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.233 0.54 . . . . 0.0 111.475 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 56.2 mtt-85 -67.81 -179.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.715 178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 46.6 mm-40 20.22 -92.17 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.8 0.688 . . . . 0.0 112.107 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.38 86.83 0.1 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.731 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -99.95 158.78 15.57 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -91.02 154.78 19.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.4 0.619 . . . . 0.0 111.043 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -59.69 170.62 1.05 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.357 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 25.5 mm -95.93 117.37 66.39 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 119.451 -0.309 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -40.89 108.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.464 1.443 . . . . 0.0 111.025 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.72 -19.99 63.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.049 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.97 -20.17 40.39 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.29 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.771 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -86.72 -15.44 39.48 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.098 0.449 . . . . 0.0 112.079 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 60.6 mt -71.61 -8.74 55.95 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.081 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -57.03 -114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.837 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' Q' ' 46' ' ' GLN . 0.7 OUTLIER -50.67 8.19 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -178.029 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.771 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.0 mp -81.04 111.38 17.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.326 0.512 . . . . 0.0 111.019 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 34.4 m-20 -81.04 166.69 20.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.69 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.91 -18.09 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 97.2 t -76.47 -63.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 3.9 m-20 -69.93 -33.94 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -64.11 -29.3 70.44 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 5.2 m -75.83 -45.23 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 30.8 t70 -59.31 -45.37 91.49 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.6 -51.23 69.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.693 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.54 -48.01 71.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.417 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.92 -36.52 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.214 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.42 -44.22 65.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.395 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.4 p -78.73 -32.26 46.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.538 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 44.5 m-85 -109.35 -6.32 15.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.538 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 78.8 150.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.0 109.937 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.26 -37.52 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.28 -53.76 9.08 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' Q' ' 64' ' ' TYR . 1.8 t80 -73.41 -31.82 64.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.052 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.659 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.47 -43.16 3.54 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -65.26 -40.0 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 21.2 tp -67.62 -44.2 78.58 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.4 t -54.09 -47.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.62 -65.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.46 -32.58 7.99 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.516 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 63.7 t -65.15 -53.82 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.443 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 60.0 mt -53.43 -37.82 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' Q' ' 76' ' ' MET . 93.2 mtt180 -67.2 -16.79 64.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 18.7 t0 -54.04 -34.76 60.85 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . 0.451 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 17.5 mtt -84.78 -133.24 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 174.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -133.75 69.0 1.47 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -112.68 50.55 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.723 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.46 -23.0 66.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.594 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 11.1 tm-20 -96.57 -55.89 2.77 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -58.97 -54.9 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -54.83 -21.44 11.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.691 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -66.72 -34.98 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -66.21 -29.02 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.818 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.625 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.2 mm? -73.43 -27.43 61.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.297 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 -23.43 67.25 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.565 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m -89.61 -42.09 11.59 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.214 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.17 -45.96 45.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -56.19 -27.94 56.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -82.39 -45.93 14.2 Favored 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.815 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.05 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 109.863 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . 0.421 HG21 HG23 ' Q' ' 53' ' ' THR . 69.4 mt -62.38 -60.69 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.744 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.47 -39.6 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -30.24 62.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.989 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -92.36 -43.15 13.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.96 -30.1 70.05 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.95 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.27 -20.76 64.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . 0.674 HD22 ' N ' ' Q' ' 14' ' ' ASN . 1.0 OUTLIER -85.94 -9.67 56.49 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.39 119.41 14.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.529 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 11.9 p -62.32 149.24 87.99 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -32.43 -42.42 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 123.197 2.598 . . . . 0.0 113.915 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.21 -31.54 62.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.365 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' Q' ' 16' ' ' THR . 92.0 mt-10 -75.56 -34.65 60.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.498 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . 0.611 HD11 ' HZ3' ' Q' ' 24' ' ' LYS . 25.4 tp -63.12 -42.73 99.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -61.78 -52.41 64.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.614 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -42.76 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -46.31 -53.89 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.392 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.611 ' HZ3' HD11 ' Q' ' 20' ' ' LEU . 40.7 mttp -56.22 -41.67 76.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.258 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 4.3 ttt -73.42 -44.83 57.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' Q' ' 76' ' ' MET . 47.1 mttm -62.43 -8.28 5.85 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.097 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.697 HD11 HD11 ' Q' ' 56' ' ' LEU . 1.6 tt -69.63 -28.17 65.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.79 29.76 7.64 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.69 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 74.7 p -118.95 -45.43 2.57 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.11 134.47 84.22 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.566 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.58 149.93 68.65 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.566 1.511 . . . . 0.0 111.233 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.436 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.2 mm? -118.12 131.68 56.4 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.834 0.349 . . . . 0.0 110.147 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.472 ' HD2' ' H ' ' Q' ' 33' ' ' ARG . 0.2 OUTLIER -70.59 -171.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.394 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -72.22 126.16 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.76 -36.36 3.7 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 0.4 OUTLIER -111.31 151.66 28.13 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.273 0.559 . . . . 0.0 110.161 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -134.94 -176.91 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.241 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . 0.576 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -63.37 157.25 23.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.789 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.758 HG21 HD21 ' Q' ' 44' ' ' LEU . 3.7 mm -82.0 129.5 64.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.576 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -37.71 110.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.186 1.924 . . . . 0.0 111.736 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.0 -16.63 52.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.817 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.3 -27.26 15.99 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.073 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.96 -8.55 59.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.87 0.335 . . . . 0.0 111.687 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.758 HD21 HG21 ' Q' ' 39' ' ' ILE . 83.1 mt -69.72 -50.29 45.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.085 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.75 20.64 2.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 19.5 mt-30 -127.01 -40.93 1.83 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 111.501 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.69 125.83 30.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -81.68 173.52 12.25 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -27.83 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.507 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.77 -59.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.004 0.43 . . . . 0.0 110.355 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.87 -29.65 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.5 OUTLIER -65.34 -38.4 90.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.364 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.421 HG23 HG21 ' Q' ' 8' ' ' ILE . 54.9 m -69.74 -47.0 64.64 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.684 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -58.61 -43.19 89.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.986 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -59.72 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.719 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.697 HD11 HD11 ' Q' ' 27' ' ' LEU . 9.9 mt -64.1 -51.4 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.31 0.576 . . . . 0.0 109.733 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.91 -37.64 79.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.809 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.83 -43.1 72.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -81.77 -37.16 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.6 m-85 -108.86 -4.03 17.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.54 152.22 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.028 0.442 . . . . 0.0 110.047 -179.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.72 -38.98 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.434 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.84 -50.16 21.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -81.09 -28.69 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.931 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.13 -58.37 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.631 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.572 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.25 -44.1 10.95 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.649 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -61.32 -40.41 94.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.579 ' O ' HD23 ' Q' ' 68' ' ' LEU . 3.5 tt -67.23 -48.87 66.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.99 -47.04 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.198 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.572 HG23 ' O ' ' Q' ' 66' ' ' ALA . 39.5 t -51.61 -62.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.901 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.464 HG23 ' O ' ' Q' ' 68' ' ' LEU . 84.0 t -67.74 -49.28 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.539 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.21 -43.56 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -56.61 -39.74 74.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.46 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' SD ' ' CE ' ' Q' ' 26' ' ' LYS . 50.4 mmm -84.77 32.61 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 49.04 29.01 2.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.985 0.421 . . . . 0.0 110.355 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . 0.491 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 13.0 mmt -114.38 68.47 0.7 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 41.0 mt -69.52 -23.02 63.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.87 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 88.7 mt-10 -78.05 -47.54 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . 0.491 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 87.0 mt-10 -54.09 -56.58 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.55 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.27 -29.27 60.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.457 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -59.25 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.202 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . 0.503 ' N ' ' CD ' ' Q' ' 84' ' ' ARG . 0.9 OUTLIER -64.72 -25.48 67.95 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.561 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.5 tt -73.36 -49.44 27.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.955 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -58.44 -7.17 0.82 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.338 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 15.6 m -91.68 -40.18 11.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.321 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -75.06 -45.36 42.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.74 -24.8 58.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.1 -48.21 8.83 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.914 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.97 -62.98 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.757 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.72 -39.61 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.535 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.92 -32.44 53.53 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.653 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . 0.762 HG21 HD21 ' Q' ' 85' ' ' LEU . 37.8 t -90.97 -41.54 13.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.669 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.94 -28.75 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.552 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.11 -24.17 64.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -85.35 -9.1 58.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.244 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -70.52 119.09 14.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.8 p -64.98 152.78 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.722 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -32.1 -51.26 0.33 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 123.329 2.686 . . . . 0.0 113.74 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.0 -30.64 69.08 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -78.45 -34.67 47.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.82 -50.42 72.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.17 -46.01 92.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' Q' ' 72' ' ' VAL . 83.5 t80 -51.91 -46.81 64.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.929 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.84 -47.66 82.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.695 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 11.1 mtp -75.36 -38.24 60.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -63.97 -11.48 29.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.462 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 7.2 mt -75.95 -33.69 59.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.61 31.74 3.82 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -126.77 -40.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.04 116.64 19.9 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.139 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -43.81 146.8 1.39 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.734 1.622 . . . . 0.0 111.902 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.476 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.0 mm? -117.61 143.11 46.45 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.462 ' CZ ' ' OH ' ' Q' ' 64' ' ' TYR . 98.6 mtt180 -68.25 178.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.82 16.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -125.1 -21.1 2.14 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -119.66 150.67 39.96 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.302 0.572 . . . . 0.0 110.55 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -122.08 -178.4 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.824 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . 0.592 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -68.34 164.32 21.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.076 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.77 HG21 HD21 ' Q' ' 44' ' ' LEU . 4.9 mm -86.11 125.96 66.67 Favored Pre-proline 0 CA--C 1.54 0.575 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -39.05 117.71 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.793 1.662 . . . . 0.0 111.577 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -64.03 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.52 -23.95 29.8 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.582 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.3 -10.1 58.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.327 0.564 . . . . 0.0 111.806 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.77 HD21 HG21 ' Q' ' 39' ' ' ILE . 84.4 mt -66.79 3.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.935 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -65.65 -113.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.858 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -62.01 13.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.582 HD12 ' O ' ' Q' ' 43' ' ' ALA . 20.5 mt -73.26 100.88 3.24 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.019 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 10.3 m-20 -79.37 164.55 23.94 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -20.95 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.141 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 43.0 t -75.35 -62.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.203 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 -32.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -63.23 -34.76 78.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.412 ' N ' HD13 ' Q' ' 52' ' ' LEU . 26.5 m -74.57 -44.32 51.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.342 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 48.4 t0 -59.36 -36.45 75.77 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.778 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.24 -54.79 35.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.452 HD11 HD13 ' Q' ' 27' ' ' LEU . 15.5 mt -64.71 -46.81 80.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.096 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -61.77 -36.25 72.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.93 -40.95 71.76 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.792 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -83.15 -37.26 23.95 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 77.2 m-85 -106.76 -7.65 17.14 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.51 154.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' Q' ' 62' ' ' GLU . 1.4 mp0 -55.43 -36.52 66.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.297 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.12 -52.32 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . 0.462 ' OH ' ' CZ ' ' Q' ' 33' ' ' ARG . 6.0 t80 -76.55 -30.16 56.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.83 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.51 -58.09 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.02 -1.072 . . . . 0.0 108.561 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.87 -45.62 7.59 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.4 -35.41 77.44 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -69.49 -46.56 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.325 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -56.87 -47.47 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.205 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -49.78 -65.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.83 -31.61 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' Q' ' 23' ' ' PHE . 78.6 t -65.67 -52.79 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.286 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 35.7 mt -54.15 -38.91 66.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.8 mtt180 -67.16 -17.35 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 9.9 t0 -52.88 -34.13 53.18 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' Q' ' 76' ' ' MET . 2.7 mpp? -85.66 -134.31 0.06 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -132.16 66.82 1.54 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -113.39 51.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.587 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.82 -19.46 65.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.74 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.645 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 64.9 tt0 -97.99 -56.19 2.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.43 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -57.5 -54.55 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.591 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.62 -21.64 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -64.1 -35.42 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -65.96 -31.19 71.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.895 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.762 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.1 mm? -72.63 -43.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.858 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 13.6 tm0? -64.31 -12.53 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.054 179.801 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.748 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -90.59 -33.18 15.97 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.59 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -76.02 -43.84 42.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.2 -38.78 71.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -70.43 -48.8 54.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.102 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.4 92.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.28 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.21 -59.69 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.714 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.732 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.4 mt -55.16 -39.92 70.06 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.453 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -30.12 61.65 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.986 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.6 t -92.35 -42.97 13.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.33 -25.23 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.661 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -69.79 -24.55 63.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.296 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -85.09 -9.29 58.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.079 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.2 117.27 11.54 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.539 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -63.47 151.67 87.22 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.66 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -31.84 -49.26 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 123.403 2.736 . . . . 0.0 114.214 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -70.06 -29.48 66.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' Q' ' 16' ' ' THR . 48.8 mt-10 -78.06 -36.42 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.57 -49.58 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.829 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.67 -41.84 95.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.208 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -49.97 -57.2 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.147 0.498 . . . . 0.0 110.268 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.405 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 24.0 mtpp -56.55 -37.77 70.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.908 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -76.04 -41.38 51.02 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -63.69 -9.7 15.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.255 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' Q' ' 27' ' ' LEU . 0.9 OUTLIER -70.92 -36.61 72.75 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.229 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.2 25.67 23.06 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.222 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -121.04 -55.01 2.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.828 0.347 . . . . 0.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . 0.532 ' O ' HG13 ' Q' ' 30' ' ' VAL . 7.7 p -61.64 122.62 72.42 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . 0.463 ' C ' HD22 ' Q' ' 32' ' ' LEU . 84.9 Cg_exo -42.79 147.46 0.62 Allowed 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 122.104 1.869 . . . . 0.0 113.356 -179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.463 HD22 ' C ' ' Q' ' 31' ' ' PRO . 4.5 mm? -117.03 142.98 46.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.555 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 2.6 mpt_? -66.21 -175.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -80.84 100.4 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.07 -10.15 0.75 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 157.71 43.27 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.183 0.516 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -133.92 -177.29 4.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 145.03 56.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.84 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.738 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.5 mm -81.71 128.98 67.15 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.46 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . 0.421 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 30.0 Cg_exo -36.62 112.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.159 1.906 . . . . 0.0 112.179 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -64.72 -17.94 64.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.776 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.18 -26.2 19.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.316 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.52 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.7 -16.24 45.69 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 122.609 -0.348 . . . . 0.0 111.702 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.738 HD21 HG21 ' Q' ' 39' ' ' ILE . 76.6 mt -65.62 2.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.969 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.07 -120.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -42.9 -1.01 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 90.3 mt -76.41 115.51 16.22 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.041 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 18.7 m-20 -83.05 166.95 18.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.189 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.732 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.62 -17.73 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.355 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.2 t -75.12 -65.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.102 0.477 . . . . 0.0 110.16 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -64.45 -35.72 81.85 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.529 ' N ' HD13 ' Q' ' 52' ' ' LEU . 50.9 m -71.79 -46.07 59.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.99 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 47.3 t0 -57.84 -44.13 86.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.006 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -55.28 -56.47 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.072 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.13 -47.86 72.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.316 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 41.3 t -59.89 -37.38 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.02 -42.94 65.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 30.8 t -79.8 -37.12 35.89 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.541 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 65.8 m-85 -104.14 -3.91 23.83 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.215 -0.303 . . . . 0.0 111.56 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.57 150.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.17 -38.93 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.433 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.02 -51.08 17.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -78.43 -26.7 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.933 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.64 -58.56 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.124 -1.03 . . . . 0.0 108.831 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.87 -43.12 8.57 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.726 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.07 -40.91 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.517 ' O ' HD23 ' Q' ' 68' ' ' LEU . 1.3 tt -67.65 -50.45 57.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.721 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.09 -49.0 80.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.536 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 10.0 t -51.11 -64.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.988 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.21 -29.87 15.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.481 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.3 t -68.3 -51.83 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.619 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.35 -40.47 86.53 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.503 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -55.57 -40.63 72.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.29 -28.8 69.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.827 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 32.8 mtt -84.84 23.73 1.15 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.49 33.39 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.556 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.0 mmt -113.89 68.4 0.69 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.16 -38.97 72.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.207 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -64.3 -47.36 79.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.043 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -59.67 -55.35 35.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.207 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.536 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.59 -32.72 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.4 77.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mmt-85 -67.06 -30.2 70.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.33 -51.46 36.76 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -54.81 -11.59 0.64 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.705 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 . . . . . 0 C--N 1.328 -0.351 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.678 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.8 m -89.95 -37.69 14.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -74.71 -45.87 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.62 -30.36 60.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.98 -47.46 20.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.838 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.64 90.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.53 -63.97 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.736 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.5 mt -53.13 -36.69 61.06 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.808 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -54.47 -38.98 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.513 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -35.95 9.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.872 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.73 -37.93 86.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.978 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -64.03 -21.11 66.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.737 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -85.78 -10.61 55.23 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.29 117.0 13.39 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.536 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 12.4 p -62.99 149.0 91.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.395 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -33.71 -36.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.997 2.465 . . . . 0.0 113.601 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.86 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.681 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' Q' ' 16' ' ' THR . 40.4 mt-10 -74.98 -35.68 62.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.241 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.91 -42.28 97.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -61.92 -51.31 68.67 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.843 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -41.16 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.64 -53.55 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.125 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.409 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 78.7 mttt -56.65 -40.02 74.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.174 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -45.97 50.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.689 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 31.9 mmtm -65.28 -8.69 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.715 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -71.5 -28.93 64.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 109.394 178.109 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.04 34.16 5.11 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.343 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 45.5 p -121.49 -44.32 2.36 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . 0.417 HG23 ' H ' ' Q' ' 30' ' ' VAL . 16.9 t -57.08 136.14 80.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . 0.455 ' O ' HD12 ' Q' ' 32' ' ' LEU . 20.9 Cg_endo -59.7 150.69 75.27 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.171 1.247 . . . . 0.0 112.026 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.455 HD12 ' O ' ' Q' ' 31' ' ' PRO . 6.3 mp -116.55 122.01 43.44 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.65 175.94 3.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.271 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.28 98.98 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.57 -20.36 1.03 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.91 137.02 48.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.281 0.562 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 16.9 mp0 -99.54 175.57 5.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.718 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.9 -179.72 0.22 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.762 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.428 HG21 HD21 ' Q' ' 44' ' ' LEU . 33.0 mm -106.15 103.43 45.04 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' Q' ' 39' ' ' ILE . 46.7 Cg_exo -39.51 111.79 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.489 1.459 . . . . 0.0 111.364 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -59.99 -27.9 67.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.028 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.85 -22.47 61.47 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.007 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -83.69 -14.99 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.9 0.35 . . . . 0.0 111.856 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' Q' ' 46' ' ' GLN . 73.7 mt -70.18 -50.61 38.41 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.692 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.05 19.78 3.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 21.8 tp60 -126.92 -41.58 1.8 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.848 0.356 . . . . 0.0 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.412 HD11 ' HB1' ' Q' ' 43' ' ' ALA . 14.9 mt -80.86 126.38 31.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.73 169.86 16.44 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.736 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.44 -24.6 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.45 -179.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 t -74.88 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 109.932 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.55 -29.46 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.775 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.9 -36.11 83.31 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.425 ' N ' HD13 ' Q' ' 52' ' ' LEU . 49.4 m -69.95 -45.26 67.82 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.91 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 76.7 m-20 -57.6 -43.17 84.49 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.503 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -56.96 -55.46 34.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.295 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -48.29 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.003 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.48 -37.35 77.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.0 -41.71 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -80.22 -38.62 30.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.728 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.54 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 80.9 m-85 -106.81 -2.88 20.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.33 153.34 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.7 -35.54 70.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.146 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.04 -51.82 14.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.56 -28.35 51.76 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.588 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.94 -58.81 6.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.406 -0.918 . . . . 0.0 108.812 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.412 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.67 -44.03 8.77 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.92 -40.75 98.56 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.631 ' O ' HG23 ' Q' ' 72' ' ' VAL . 1.6 tt -67.31 -49.13 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.586 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 83.2 t -56.85 -49.63 78.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.46 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 25.0 t -50.67 -62.45 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.5 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.631 HG23 ' O ' ' Q' ' 68' ' ' LEU . 87.9 t -68.74 -52.16 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.799 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.654 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 42.8 mt -55.89 -43.71 77.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.91 -41.06 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.499 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.41 27.97 0.57 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 59.14 33.76 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.576 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -122.12 67.66 0.93 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.54 -24.23 62.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.982 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' Q' ' 80' ' ' GLU . 5.5 mp0 -81.35 -48.31 12.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.404 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -58.15 -55.33 36.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.394 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -52.66 -29.01 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.784 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.28 -38.52 83.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -65.62 -31.33 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.739 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.479 ' N ' HD22 ' Q' ' 85' ' ' LEU . 3.8 mm? -72.84 -48.23 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -56.93 -12.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 179.522 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -91.06 -35.86 14.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -74.2 -45.3 49.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -54.56 -42.59 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.22 -47.69 78.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.071 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.68 94.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.147 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.23 -58.16 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.695 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.2 mt -54.95 -34.44 63.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.647 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -57.77 -39.92 78.58 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.848 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.24 -38.01 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.12 -35.71 77.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.201 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.57 -22.78 66.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.212 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -85.24 -8.91 58.32 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 120.899 0.38 . . . . 0.0 110.217 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.16 119.37 14.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.541 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.2 p -63.86 150.9 90.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.136 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -31.7 -48.58 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 123.212 2.608 . . . . 0.0 114.42 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -71.08 -29.22 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.785 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' Q' ' 16' ' ' THR . 93.8 mt-10 -77.87 -35.3 51.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.13 -50.19 71.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.07 -48.0 83.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.505 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -41.72 90.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.788 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 91.4 t80 -49.23 -49.79 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.272 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.77 -44.97 74.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.262 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 50.3 mtp -76.23 -41.9 47.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -63.04 -11.12 17.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.928 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.3 mt -72.87 -27.75 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.6 30.96 6.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.96 -46.14 1.98 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . 0.459 ' O ' HD22 ' Q' ' 32' ' ' LEU . 57.8 t -55.75 116.64 12.63 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.557 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -42.67 148.27 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.868 1.712 . . . . 0.0 112.012 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' NH2' ' Q' ' 38' ' ' ARG . 2.4 mm? -124.22 130.43 52.51 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.489 ' HD2' ' H ' ' Q' ' 33' ' ' ARG . 2.3 mpt_? -69.31 -175.36 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.703 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.9 98.84 4.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.29 -21.52 0.29 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.555 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -123.91 149.53 45.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 110.788 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.58 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.67 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' Q' ' 32' ' ' LEU . 4.5 tpm_? -65.14 160.91 20.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.472 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.875 HG21 HD21 ' Q' ' 44' ' ' LEU . 33.6 mm -87.42 119.55 70.84 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.617 -0.23 . . . . 0.0 110.493 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -40.32 117.68 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.853 1.702 . . . . 0.0 111.956 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -60.67 -22.93 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.294 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -23.59 48.77 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.237 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.17 59.22 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.894 0.347 . . . . 0.0 111.685 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.875 HD21 HG21 ' Q' ' 39' ' ' ILE . 96.4 mt -80.82 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.988 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.29 26.88 2.88 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -127.74 -42.6 1.6 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.11 0.481 . . . . 0.0 111.099 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.581 HD12 ' N ' ' Q' ' 47' ' ' LEU . 7.0 mp -84.98 137.66 32.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.54 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 3.9 m-20 -82.6 170.12 15.53 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.695 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.87 -20.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.157 -179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 5.1 t -74.69 -64.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.77 -27.59 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.787 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -64.83 -36.73 85.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.437 ' N ' HD13 ' Q' ' 52' ' ' LEU . 53.5 m -71.55 -46.98 57.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.229 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 15.1 t70 -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.326 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -57.57 -54.77 43.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.19 -48.46 73.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.28 0.562 . . . . 0.0 110.037 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.86 -37.84 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.083 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.29 -42.55 68.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -81.1 -36.43 30.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.552 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 46.9 m-85 -106.49 -4.72 19.47 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.552 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 79.14 150.0 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 -179.4 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -55.12 -40.48 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.664 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.71 -50.59 20.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.44 -28.79 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.977 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.09 -58.04 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.847 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.68 9.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.674 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.04 -39.69 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.51 -47.94 68.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.407 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 90.8 t -61.07 -47.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 4.6 t -51.97 -62.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.46 13.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.476 HG23 ' O ' ' Q' ' 68' ' ' LEU . 76.9 t -69.91 -52.11 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.244 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 38.9 mt -56.4 -44.05 79.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.794 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.4 -39.42 67.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -67.35 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.494 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.1 mmm -83.35 27.3 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 56.88 30.7 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.1 mmt -118.29 68.93 0.78 Allowed 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . 0.507 HD12 ' N ' ' Q' ' 79' ' ' LEU . 11.0 mp -71.4 -44.96 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.603 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 53.7 mt-10 -59.66 -43.79 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 111.294 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.59 -57.54 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.924 0.392 . . . . 0.0 110.964 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -55.27 -31.03 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -61.07 -38.88 87.79 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -65.86 -28.31 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.764 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.81 -45.03 72.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -55.41 -11.11 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.513 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.977 0.417 . . . . 0.0 110.319 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -90.78 -37.29 13.74 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -76.28 -45.59 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -58.01 -25.07 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.49 -48.22 10.53 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.28 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.1 -60.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.781 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.33 -40.97 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.675 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -54.8 -29.55 54.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.51 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -93.37 -42.17 12.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.54 -29.68 70.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.873 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.9 -21.48 64.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . 0.433 ' ND2' ' N ' ' Q' ' 14' ' ' ASN . 2.3 m120 -85.13 -9.83 57.44 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.54 117.91 11.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' Q' ' 19' ' ' GLU . 2.4 p -65.56 150.92 95.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -31.7 -41.58 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 123.22 2.614 . . . . 0.0 113.695 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.89 -55.17 9.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.881 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 0.3 OUTLIER -60.27 -27.54 67.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.979 -178.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.11 -43.22 99.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -62.89 -51.14 68.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.701 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 88.9 t80 -49.45 -52.75 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.399 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -55.77 -45.2 78.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.543 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -75.75 -44.28 42.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.046 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 41.1 mmtt -62.52 -10.55 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.865 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.61 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.8 mt -74.82 -25.75 59.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 32.13 6.09 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.421 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 18.1 p -126.35 -42.35 1.84 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.64 117.07 16.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.82 145.41 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.75 1.634 . . . . 0.0 112.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.433 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.1 mm? -117.35 135.72 53.66 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' Q' ' 35' ' ' GLY . 42.7 mtp180 -66.7 173.09 3.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.023 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.07 13.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.526 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -119.31 -13.85 6.17 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 4.4 m-85 -132.62 160.25 37.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.285 0.564 . . . . 0.0 111.143 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -135.67 -177.11 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . 0.7 ' NH1' ' H ' ' Q' ' 41' ' ' ARG . 0.0 OUTLIER -64.09 154.22 35.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.904 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.787 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.4 mm -82.13 127.01 73.23 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -38.25 118.52 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.117 1.878 . . . . 0.0 111.744 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . 0.7 ' H ' ' NH1' ' Q' ' 38' ' ' ARG . 31.2 ptt85 -65.0 -27.43 68.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . 0.424 ' O ' ' OE1' ' Q' ' 46' ' ' GLN . . . -82.88 -24.85 51.68 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.429 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -83.66 -8.98 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.008 0.404 . . . . 0.0 111.737 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.787 HD21 HG21 ' Q' ' 39' ' ' ILE . 77.2 mt -73.26 -46.43 50.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.289 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.485 ' O ' ' NE2' ' Q' ' 46' ' ' GLN . . . -86.28 24.51 8.14 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' Q' ' 45' ' ' GLY . 5.7 mp0 -127.44 -43.91 1.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.775 0.321 . . . . 0.0 111.252 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' Q' ' 51' ' ' ASP . 11.5 mt -83.45 134.7 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.076 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.81 170.83 14.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -25.21 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.618 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -73.18 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.037 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' Q' ' 47' ' ' LEU . 23.5 m-20 -70.86 -29.6 65.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.019 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.77 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -65.52 -36.21 83.14 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.556 ' N ' HD13 ' Q' ' 52' ' ' LEU . 23.5 m -69.4 -48.69 60.3 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.96 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 11.1 t0 -54.94 -40.47 69.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.007 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -59.15 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.33 -51.54 59.92 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.466 0.651 . . . . 0.0 109.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -62.33 -36.07 72.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.136 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.67 -44.04 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.714 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 39.4 m -80.89 -39.15 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.53 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.9 m-85 -105.29 -4.34 21.73 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.77 151.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.98 -38.09 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.079 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 31.8 t70 -74.67 -51.82 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -78.33 -27.55 47.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.779 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.76 -58.4 8.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.634 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.84 -44.03 9.21 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.68 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' Q' ' 67' ' ' GLU . 0.3 OUTLIER -62.32 -39.77 94.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.234 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.93 -51.15 51.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.616 178.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 86.7 t -60.8 -48.91 86.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.646 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.512 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 11.1 t -50.05 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.379 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.34 25.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.447 HG23 ' O ' ' Q' ' 68' ' ' LEU . 52.9 t -70.08 -52.13 33.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.698 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 30.5 mt -56.26 -44.55 79.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.76 -38.13 69.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 0.0 110.01 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.6 -29.09 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 89.9 mmm -85.18 21.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.228 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 62.05 35.27 16.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.881 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.9 mmt -114.8 67.42 0.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . 0.573 HD12 ' N ' ' Q' ' 79' ' ' LEU . 9.6 mp -71.28 -31.51 67.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.348 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.52 -48.2 28.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.262 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -58.74 -57.12 14.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.41 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.512 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.28 -31.36 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.92 77.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.528 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -66.15 -28.38 68.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.837 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.26 -50.93 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.8 -19.16 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.755 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.397 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -89.59 -31.73 17.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.689 0.281 . . . . 0.0 110.366 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -75.2 -41.29 58.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.64 -48.22 72.53 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.07 -50.3 73.19 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.045 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 47.7 mt -63.17 -59.04 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.688 HD21 ' O ' ' Q' ' 49' ' ' ILE . 12.1 mt -55.89 -39.91 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.927 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.259 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -90.64 -42.08 13.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.86 -25.9 67.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.179 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.7 -24.32 64.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.206 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -81.42 -10.34 59.54 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.52 119.56 14.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.535 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -64.56 151.53 91.63 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -32.75 -49.88 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.974 2.449 . . . . 0.0 112.929 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -69.68 -35.96 75.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.469 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' Q' ' 16' ' ' THR . 21.2 mt-10 -71.7 -29.46 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.42 -43.33 96.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -60.83 -49.81 75.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.171 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -59.58 -39.64 84.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.724 -0.791 . . . . 0.0 109.423 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.517 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 51.0 t80 -49.72 -53.83 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 110.692 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 13.4 mtmt -57.18 -47.47 81.16 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.288 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.61 -43.97 45.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.399 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -59.73 -8.87 2.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.608 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -69.53 -34.18 73.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.399 0.619 . . . . 0.0 109.513 177.433 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.37 26.62 3.41 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.517 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 53.5 p -123.75 -44.86 2.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.07 115.68 12.94 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.375 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.45 144.4 1.23 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.879 1.719 . . . . 0.0 112.137 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -118.49 129.39 55.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -69.08 169.23 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.392 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' Q' ' 34' ' ' GLU . 30.6 mp0 -63.32 97.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.21 -34.66 1.0 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -108.02 147.84 30.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.282 0.563 . . . . 0.0 110.127 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -134.07 -177.12 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.729 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.43 160.06 20.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.577 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.84 126.88 76.7 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -38.8 123.87 0.83 Allowed 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.947 1.765 . . . . 0.0 112.054 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -47.86 -26.85 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.736 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.13 -9.99 64.85 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.93 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.476 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -85.21 -17.16 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 111.241 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.52 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 10.9 mt -76.17 -5.44 46.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.542 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -84.01 -124.37 1.09 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.756 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -41.08 -3.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 16.9 mt -81.32 112.89 19.03 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.038 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 68.7 m-20 -82.27 170.48 15.34 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.632 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.688 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.88 -17.36 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.53 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 3.8 t -77.31 -65.0 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -68.34 -33.49 74.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.82 -32.07 73.6 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 17.5 m -75.78 -43.78 44.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 7.2 m-20 -60.5 -44.41 96.02 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . 0.444 ' HZ3' ' CD1' ' Q' ' 47' ' ' LEU . 3.1 tppm? -58.67 -52.64 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.6 -47.24 79.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.01 -33.36 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.05 -45.03 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.091 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -80.21 -35.62 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 88.2 m-85 -105.22 -4.74 21.34 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 74.74 153.76 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.79 -35.9 66.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . 0.428 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 39.9 t0 -75.65 -53.83 7.94 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.64 -28.77 61.96 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.914 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.66 -59.0 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.975 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.419 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -43.05 -41.62 3.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.971 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' Q' ' 67' ' ' GLU . 0.4 OUTLIER -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 20.0 tp -67.83 -48.89 64.94 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.0 -50.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.556 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 24.9 t -50.61 -65.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.929 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -30.87 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 70.5 t -67.55 -53.46 31.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.598 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 40.0 mt -55.65 -35.39 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . 0.571 ' O ' ' O ' ' Q' ' 76' ' ' MET . 77.9 mtt180 -64.06 -36.29 83.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' Q' ' 74' ' ' ARG . 9.6 t70 -37.2 -32.08 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.669 0.747 . . . . 0.0 109.328 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 7.7 mmt -86.21 -132.53 0.06 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -137.97 66.04 1.46 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . 0.496 ' SD ' ' OE1' ' Q' ' 81' ' ' GLU . 22.5 mmt -117.78 58.67 0.8 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 113.452 -1.703 . . . . 0.0 109.274 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.95 -14.16 62.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 28.2 tt0 -98.12 -54.34 3.1 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.874 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . 0.496 ' OE1' ' SD ' ' Q' ' 78' ' ' MET . 8.7 mt-10 -57.99 -60.43 3.74 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -51.91 -23.99 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.353 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -66.95 -31.37 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.76 -28.94 69.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.2 -48.49 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.577 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -64.36 -25.29 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.376 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 N--CA 1.464 0.231 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.83 -179.507 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m -88.43 -35.51 17.03 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -75.95 -44.05 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -56.96 -21.9 33.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.67 -49.28 7.61 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.625 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.01 83.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.7 -62.15 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.533 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -41.9 70.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.332 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -29.73 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.625 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . 0.646 HG21 HD21 ' Q' ' 85' ' ' LEU . 39.4 t -93.28 -42.53 13.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.74 -29.0 69.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.578 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -69.16 -24.95 64.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.905 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -83.55 -9.39 58.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.871 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.2 118.32 12.88 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.537 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.3 p -63.78 152.1 87.39 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.62 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -32.3 -48.83 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 123.032 2.488 . . . . 0.0 113.563 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.58 -33.99 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.588 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' Q' ' 16' ' ' THR . 37.1 mt-10 -77.37 -30.55 53.8 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.643 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.94 -50.48 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.763 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -65.58 -39.19 91.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.22 -46.16 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.453 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 52.1 mttm -58.69 -46.36 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.079 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 19.3 mtt -76.92 -45.64 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.686 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -65.12 -12.2 48.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.252 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.504 ' CD2' HD21 ' Q' ' 56' ' ' LEU . 14.5 tp -77.26 -36.62 54.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.4 37.31 3.46 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -126.69 -38.43 2.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.591 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.41 135.8 91.69 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.108 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . 0.614 ' C ' HD22 ' Q' ' 32' ' ' LEU . 54.8 Cg_endo -69.17 151.16 72.45 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.217 1.278 . . . . 0.0 109.912 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.614 HD22 ' C ' ' Q' ' 31' ' ' PRO . 4.4 mm? -115.38 149.06 38.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.392 0.615 . . . . 0.0 110.987 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.546 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 8.0 mpt_? -69.17 -168.81 0.16 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.826 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 66.5 mm-40 17.14 -98.51 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.009 0.818 . . . . 0.0 112.308 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.25 85.92 0.12 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.528 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -99.83 155.09 17.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 6.4 mp0 -88.98 144.48 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 111.109 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.34 -173.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.485 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.588 HG21 HD21 ' Q' ' 44' ' ' LEU . 8.0 mm -100.11 103.03 20.13 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -39.41 122.37 0.87 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.713 1.609 . . . . 0.0 111.762 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -57.46 -66.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.641 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.23 -23.02 0.4 Allowed Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.214 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.88 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -85.01 -13.8 49.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.05 0.425 . . . . 0.0 112.088 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.588 HD21 HG21 ' Q' ' 39' ' ' ILE . 34.2 mt -72.0 -5.03 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.835 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.57 -115.51 0.02 OUTLIER Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.724 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -50.83 6.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.88 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.2 mp -79.49 102.98 9.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.39 0.541 . . . . 0.0 111.667 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' Q' ' 48' ' ' ASP . 1.7 m-20 -82.85 172.39 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.463 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -50.26 -19.64 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.081 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.03 -62.35 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.366 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.05 -32.76 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.93 -32.71 74.56 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 4.9 m -74.43 -48.83 25.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.672 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 4.8 m-20 -59.54 -45.5 91.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.694 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -58.56 -39.52 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' Q' ' 27' ' ' LEU . 10.0 mt -67.56 -54.69 17.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.235 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.9 -32.24 57.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.591 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -50.26 39.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.3 m -79.85 -31.52 40.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.533 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 97.9 m-85 -107.17 -9.04 16.24 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.533 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.6 OUTLIER 82.57 148.3 0.08 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.069 0.461 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.87 -48.52 64.01 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.816 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.47 -49.53 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . 0.531 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 4.6 t80 -76.19 -28.68 57.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.997 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.54 -56.97 14.94 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 118.664 -1.215 . . . . 0.0 108.523 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.08 -44.32 10.23 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.895 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.76 -34.54 74.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.9 OUTLIER -71.28 -49.9 38.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.68 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -50.62 -48.66 26.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.735 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 41.8 t -50.59 -66.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.817 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.94 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' Q' ' 75' ' ' ASP . 85.5 t -65.83 -51.9 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.466 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 48.4 mt -53.75 -37.74 63.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 95.7 mtt180 -68.52 -15.41 63.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' Q' ' 72' ' ' VAL . 18.1 t0 -54.49 -32.9 58.83 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . 0.465 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 8.0 mmt -86.8 -134.48 0.07 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 104.056 -2.572 . . . . 0.0 104.056 174.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . 0.452 ' CZ ' ' O ' ' Q' ' 76' ' ' MET . 12.6 mmp_? -132.46 68.27 1.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 177.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 26.2 mmt -111.11 49.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.471 -1.695 . . . . 0.0 109.611 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.32 -22.56 66.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.354 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 35.9 tt0 -97.32 -55.26 2.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.92 -56.47 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.443 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -54.81 -20.64 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -65.94 -36.38 83.21 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -64.5 -30.3 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.264 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.646 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.1 mm? -74.86 -45.0 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.151 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -68.39 -6.99 27.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.117 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.541 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -87.13 -38.11 16.75 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -76.27 -43.37 42.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.43 -43.8 75.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.86 -49.64 71.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.076 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.46 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.022 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.77 -58.64 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.688 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.694 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.4 mt -55.82 -40.78 73.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.456 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -56.62 -30.13 62.92 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.381 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -92.0 -42.53 13.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.33 -26.14 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.07 -25.2 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.568 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -82.46 -9.39 59.45 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.68 116.21 12.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.463 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.45 154.93 86.79 Favored Pre-proline 0 C--N 1.321 -0.671 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.22 -178.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -32.82 -43.19 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 123.716 2.944 . . . . 0.0 114.459 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.62 -43.04 73.52 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.02 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 38.8 mp0 -71.14 -31.71 68.06 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.506 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -61.41 -45.85 92.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -63.9 -48.61 75.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -40.03 96.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.62 ' O ' HD13 ' Q' ' 27' ' ' LEU . 67.6 t80 -47.33 -48.2 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -58.1 -40.81 82.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ttt -76.62 -48.01 20.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.897 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.75 -9.88 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.03 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.62 HD13 ' O ' ' Q' ' 23' ' ' PHE . 0.3 OUTLIER -75.76 -38.04 58.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.357 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.46 28.36 9.18 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.4 m -120.85 -50.18 2.18 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . 0.499 ' O ' HG13 ' Q' ' 30' ' ' VAL . 4.0 p -61.41 119.3 45.32 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -38.59 150.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.165 1.91 . . . . 0.0 113.075 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -119.9 134.38 55.26 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.586 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -68.55 165.72 18.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -64.7 103.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.39 -17.44 1.15 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.3 m-85 -127.45 155.0 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -129.75 -177.57 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.853 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.17 168.82 6.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.819 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' Q' ' 39' ' ' ILE . 14.9 mm -82.53 116.31 63.08 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -38.57 126.45 1.04 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.72 1.613 . . . . 0.0 111.974 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.39 -41.28 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.023 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.47 -18.58 77.11 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.57 -9.44 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.58 3.58 9.21 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.724 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -85.64 -129.0 2.17 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.56 -0.746 . . . . 0.0 113.26 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . 0.641 HE21 ' N ' ' Q' ' 46' ' ' GLN . 3.4 mm-40 -45.86 3.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 9.2 mp -74.4 104.99 5.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.867 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 26.4 m-20 -82.68 168.24 17.44 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.694 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.66 -18.67 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.78 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 30.1 t -76.03 -65.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -69.51 -31.9 70.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.762 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.405 ' O ' HD12 ' Q' ' 56' ' ' LEU . 18.5 tp -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 15.6 m -72.05 -43.56 64.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 13.3 t70 -59.33 -46.69 87.92 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.748 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -57.91 -46.89 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.475 HD21 HD23 ' Q' ' 27' ' ' LEU . 11.1 mt -67.21 -51.21 56.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.352 0.596 . . . . 0.0 110.077 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.07 -35.69 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.531 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -44.16 68.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.036 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 71.2 m -79.15 -38.31 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.504 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 92.6 m-85 -103.95 -0.88 28.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.158 -0.339 . . . . 0.0 111.77 -178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 73.52 150.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.72 -42.7 71.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -72.54 -51.12 21.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -78.35 -25.38 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.798 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.45 -57.24 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.568 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.66 12.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.811 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.15 -42.09 98.92 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.587 ' O ' HG23 ' Q' ' 72' ' ' VAL . 4.9 tt -67.96 -51.45 47.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.997 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 88.5 t -56.15 -49.68 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.571 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 7.2 t -51.42 -61.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.59 -30.2 29.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.587 HG23 ' O ' ' Q' ' 68' ' ' LEU . 91.2 t -68.07 -51.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.016 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 59.1 mt -56.47 -42.83 78.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -57.26 -40.5 77.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.34 -27.32 67.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.718 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtp -85.29 22.97 1.37 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 60.54 32.89 20.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.239 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.5 mmt -120.58 70.93 0.9 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.61 -42.2 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.89 -48.48 78.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.539 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.2 -56.18 25.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 111.057 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.571 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -57.66 -32.21 67.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.86 81.69 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.8 mmt-85 -66.52 -27.41 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.42 -45.17 69.8 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.55 -17.32 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.118 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 27.8 m -92.9 -37.26 12.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.078 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -76.26 -46.97 25.5 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -56.31 -29.12 60.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.02 -46.58 13.75 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.237 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.34 77.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.007 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.81 -57.18 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.136 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.98 -35.66 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.705 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.58 -40.21 74.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.7 -39.66 13.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.0 -35.27 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.798 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.76 -21.7 66.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.768 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -83.8 -10.22 58.23 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.66 119.59 15.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -63.49 152.12 86.28 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -32.23 -39.97 0.1 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 123.093 2.529 . . . . 0.0 112.64 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.52 -54.67 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.651 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.49 -28.49 69.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.764 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.1 -44.47 97.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -65.02 -50.1 67.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.944 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -61.57 -38.59 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 56.5 t80 -47.98 -49.42 30.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.533 . . . . 0.0 109.939 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.615 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 81.2 mttt -56.48 -45.33 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.347 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.6 mmt -76.41 -48.76 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.584 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -60.73 -10.97 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 7.4 mt -72.33 -25.16 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.611 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.13 28.17 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 80.7 p -120.22 -48.11 2.34 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -53.5 134.56 53.51 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.825 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.71 148.39 71.63 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.543 1.495 . . . . 0.0 111.22 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.472 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.5 mm? -113.29 134.51 54.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.331 0.586 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 2.0 mpt_? -68.46 176.28 2.95 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.645 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 37.2 mt-10 31.5 -95.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.343 0.402 . . . . 0.0 111.452 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' Q' ' 33' ' ' ARG . . . -167.78 88.61 0.1 OUTLIER Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.19 166.06 11.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.163 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.29 140.75 29.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.396 0.617 . . . . 0.0 111.386 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' Q' ' 38' ' ' ARG . 14.1 mmt180 -64.61 -146.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.809 HG21 HD21 ' Q' ' 44' ' ' LEU . 38.7 mm -133.02 99.0 15.29 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -37.24 123.02 0.42 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.305 2.003 . . . . 0.0 112.024 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.49 -21.61 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.049 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.19 -27.37 28.31 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.078 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -81.74 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.661 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.809 HD21 HG21 ' Q' ' 39' ' ' ILE . 72.6 mt -71.88 -46.13 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.186 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.67 19.99 8.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -127.91 -41.36 1.64 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.528 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.438 HD11 ' HB1' ' Q' ' 43' ' ' ALA . 16.1 mt -82.66 124.17 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -85.31 173.78 10.08 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -21.09 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.956 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.63 -65.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.178 0.513 . . . . 0.0 110.02 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -27.73 63.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -65.72 -34.53 78.42 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -72.38 -44.05 63.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.658 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -57.55 -45.46 85.09 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.325 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -56.79 -46.43 81.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.2 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.13 -52.01 32.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.436 0.636 . . . . 0.0 110.545 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.81 -36.94 78.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.883 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.02 -43.81 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 111.177 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -78.86 -36.84 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.55 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.1 m-85 -108.43 -1.23 20.04 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.62 152.5 0.13 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.748 -0.595 . . . . 0.0 109.823 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -55.76 -43.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' Q' ' 64' ' ' TYR . 3.2 p30 -74.32 -48.96 24.96 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' Q' ' 63' ' ' ASP . 1.8 t80 -74.31 -30.13 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -60.84 -57.59 12.01 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.653 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.549 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.09 -40.98 7.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.753 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 3.3 tt -66.53 -47.0 74.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.442 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.9 t -59.02 -50.0 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.984 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.549 HG23 ' O ' ' Q' ' 66' ' ' ALA . 48.6 t -50.68 -62.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.104 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.92 -32.1 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.425 HG23 ' O ' ' Q' ' 68' ' ' LEU . 54.2 t -65.82 -50.14 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.674 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 47.0 mt -57.18 -43.61 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -55.03 -40.23 70.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.224 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.83 -30.71 70.96 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 33.5 mtm -84.59 30.09 0.57 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.046 0.45 . . . . 0.0 110.628 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? 52.76 28.92 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.261 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -110.37 68.85 0.68 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.13 -40.12 75.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.403 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.4 -50.45 69.81 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.15 -56.29 23.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -58.03 -37.89 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.05 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.84 -29.18 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.636 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.9 tt -70.06 -43.22 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.116 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.93 -13.35 6.17 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? . . . . . 0 C--N 1.331 -0.202 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -92.09 -39.69 11.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.686 0.279 . . . . 0.0 111.048 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -72.79 -45.52 58.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.33 -35.62 65.37 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.07 -45.64 48.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.993 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.22 94.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.124 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.0 -59.73 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.4 -35.61 63.05 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.574 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . 0.41 ' O ' ' OD1' ' Q' ' 14' ' ' ASN . 5.1 mptt -56.58 -39.6 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 m -87.72 -38.65 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.56 -37.2 82.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.558 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.52 -22.38 66.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' Q' ' 10' ' ' LYS . 2.2 m120 -83.08 -10.83 58.49 Favored 'General case' 0 CA--C 1.513 -0.461 0 C-N-CA 120.521 -0.471 . . . . 0.0 109.758 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.3 mt -71.59 118.0 13.86 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.83 155.01 90.81 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -30.86 -48.46 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 123.482 2.788 . . . . 0.0 113.846 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -49.17 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' Q' ' 19' ' ' GLU . 20.6 mp0 -67.45 -29.93 69.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.18 -52.65 64.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.73 -48.15 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.524 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -61.95 -38.9 90.23 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.062 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 73.0 t80 -50.86 -46.44 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.213 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.508 ' NZ ' ' CB ' ' Q' ' 24' ' ' LYS . 5.1 mtmp? -58.96 -49.81 76.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.708 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mtp -69.93 -42.68 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.366 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -66.61 -7.91 23.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' Q' ' 27' ' ' LEU . 11.6 tp -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.405 0.621 . . . . 0.0 110.04 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 38.47 3.11 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -129.29 -40.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.153 0.501 . . . . 0.0 109.857 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.52 114.81 9.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.356 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -46.86 148.54 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.649 1.566 . . . . 0.0 111.604 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.454 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.0 mm? -115.01 144.18 44.01 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.167 0.508 . . . . 0.0 111.007 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 80.1 mtt180 -67.76 -173.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.12 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 0.4 OUTLIER 14.67 -91.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.015 0.822 . . . . 0.0 112.263 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.97 81.82 0.12 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.642 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -97.72 161.4 13.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 7.2 mp0 -88.1 137.47 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.305 0.574 . . . . 0.0 110.662 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -60.8 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.8 111.97 57.67 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -40.13 126.43 1.93 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.03 1.82 . . . . 0.0 112.202 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -47.9 -21.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.39 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.36 -3.5 57.58 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.18 -12.82 42.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.753 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.48 ' C ' ' NZ ' ' Q' ' 24' ' ' LYS . 12.1 mt -77.85 -73.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.43 29.15 3.27 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.353 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -127.57 -40.0 1.8 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.991 0.424 . . . . 0.0 112.071 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.6 131.44 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' Q' ' 48' ' ' ASP . 0.8 OUTLIER -81.23 169.48 17.27 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -22.89 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.979 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.22 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.731 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.95 -29.86 69.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.754 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.9 OUTLIER -64.65 -34.99 79.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 44.3 m -73.3 -44.35 59.25 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.003 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 51.0 t0 -60.42 -40.45 91.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.318 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.48 -47.52 85.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.404 HD21 HD21 ' Q' ' 27' ' ' LEU . 16.7 mt -63.1 -50.1 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.584 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.45 -34.06 67.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.568 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.51 -42.89 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -82.67 -36.39 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.567 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.3 m-85 -110.66 -6.01 14.91 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.567 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 80.38 153.18 0.12 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.944 -0.473 . . . . 0.0 109.938 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -54.3 -37.02 64.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.12 -51.81 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -78.16 -30.73 49.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.098 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.73 -60.67 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.168 -1.013 . . . . 0.0 108.999 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.57 -44.45 12.85 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.22 -32.23 72.87 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -70.54 -49.44 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.153 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.83 -41.93 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.681 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.707 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 15.6 t -53.16 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.016 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.45 -30.41 2.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 90.3 t -66.13 -52.6 46.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.625 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.15 -40.06 76.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.5 mtt180 -67.43 -15.33 63.62 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.959 178.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 11.1 t70 -55.41 -33.31 63.41 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 41.4 mmm -86.06 -136.42 0.07 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.71 68.25 1.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -120.21 66.59 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.774 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . 0.416 ' N ' HD12 ' Q' ' 79' ' ' LEU . 10.3 mp -72.32 -15.66 61.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.07 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 8.3 mm-40 -92.82 -53.59 4.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.102 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.91 -54.54 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.891 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.707 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -53.52 -23.42 10.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -65.44 -37.99 88.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -63.56 -31.13 72.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.27 -48.41 65.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.64 -19.17 64.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 121.037 0.446 . . . . 0.0 110.319 -179.717 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -90.42 -35.33 15.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.405 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -74.64 -44.83 48.51 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -55.6 -40.76 72.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.57 -48.6 71.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.93 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.88 91.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.27 -59.42 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.066 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.727 HD21 ' O ' ' Q' ' 49' ' ' ILE . 10.8 mt -55.93 -40.11 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.15 -31.06 61.04 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.036 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.52 -41.95 13.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.03 -25.18 67.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.697 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.2 -22.89 63.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -84.98 -8.91 58.54 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.25 118.72 12.49 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.515 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 9.2 p -65.96 150.58 96.42 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.906 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -31.86 -49.45 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 123.541 2.827 . . . . 0.0 114.264 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -70.82 -31.16 67.81 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.652 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -77.81 -33.42 52.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . 0.63 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 48.9 tp -61.38 -49.34 77.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -60.93 -51.86 67.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.163 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -63.1 -40.81 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.322 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . 0.54 ' O ' HD13 ' Q' ' 27' ' ' LEU . 85.9 t80 -50.67 -60.38 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.63 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 41.7 mttp -48.19 -37.8 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.49 -41.21 33.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.957 0.408 . . . . 0.0 110.973 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -63.45 -9.26 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.185 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.777 HD21 HD11 ' Q' ' 56' ' ' LEU . 6.7 mp -67.14 -26.82 66.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.29 32.63 6.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -120.08 -51.79 2.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.222 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 2.9 t -57.08 127.76 76.51 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.118 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . 0.475 ' C ' HD12 ' Q' ' 32' ' ' LEU . 89.4 Cg_exo -43.06 147.97 0.62 Allowed 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.936 1.757 . . . . 0.0 112.76 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . 0.475 HD12 ' C ' ' Q' ' 31' ' ' PRO . 9.5 mp -123.3 117.02 24.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . 0.517 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 2.0 mpt_? -66.82 -177.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.335 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . 0.578 ' CD ' ' H ' ' Q' ' 34' ' ' GLU . 1.7 mp0 -66.23 127.19 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 -27.28 8.33 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -107.27 138.89 42.63 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 9.7 mp0 -122.28 174.01 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 149.76 46.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.357 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.508 ' CD1' HD23 ' Q' ' 27' ' ' LEU . 10.3 mt -83.96 129.17 59.96 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . 0.442 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 23.8 Cg_exo -37.62 116.16 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.171 1.914 . . . . 0.0 112.287 178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . 0.457 ' H ' ' HD3' ' Q' ' 41' ' ' ARG . 0.7 OUTLIER -70.49 -17.02 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.931 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.4 -27.75 14.57 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.263 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -81.72 -19.01 42.35 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.864 0.332 . . . . 0.0 111.323 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.442 HD21 HG21 ' Q' ' 39' ' ' ILE . 57.5 mt -66.27 4.21 0.76 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.191 -0.603 . . . . 0.0 109.871 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -66.21 -124.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.829 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' Q' ' 46' ' ' GLN . 15.4 mt-30 -47.55 6.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 91.6 mt -77.17 118.95 20.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 119.095 0.861 . . . . 0.0 110.575 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 15.2 m-20 -81.79 164.56 21.59 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.727 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.64 -18.57 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.279 -179.506 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 7.1 t -75.25 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.25 -31.85 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.948 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . 0.763 HD22 ' O ' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.56 -33.71 76.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . 0.667 ' N ' HD13 ' Q' ' 52' ' ' LEU . 16.8 m -70.72 -47.12 61.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.0 t70 -54.34 -42.2 69.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.094 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -58.32 -42.06 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.825 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.777 HD11 HD21 ' Q' ' 27' ' ' LEU . 11.1 mt -68.42 -54.4 17.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.437 0.637 . . . . 0.0 110.098 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.45 -33.11 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.647 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.89 -48.88 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.947 0.403 . . . . 0.0 111.589 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 46.4 m -78.59 -35.45 45.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.546 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 93.1 m-85 -107.62 -6.29 17.01 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.546 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.73 151.74 0.12 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -54.43 -40.42 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.0 -50.24 24.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . 0.517 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.3 t80 -79.24 -28.35 42.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.544 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.26 -62.24 1.98 Allowed 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.038 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.606 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.44 -44.81 8.73 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.4 OUTLIER -67.96 -53.37 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.431 178.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . 0.48 HG22 HD13 ' Q' ' 56' ' ' LEU . 48.2 t -59.64 -48.54 87.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.606 HG23 ' O ' ' Q' ' 66' ' ' ALA . 30.7 t -49.14 -62.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.311 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . 0.428 ' O ' ' OD2' ' Q' ' 75' ' ' ASP . . . -53.89 -28.77 38.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.438 HG23 ' O ' ' Q' ' 68' ' ' LEU . 69.3 t -68.13 -51.48 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 32.0 mt -58.36 -43.82 88.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.094 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -55.68 -40.03 71.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Q' ' 71' ' ' ALA . 14.0 m-20 -67.03 -27.59 67.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 74.4 mtp -84.52 28.68 0.64 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 56.14 28.42 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.395 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' Q' ' 81' ' ' GLU . 11.6 mmt -116.95 69.07 0.75 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . 0.493 HD12 ' N ' ' Q' ' 79' ' ' LEU . 10.6 mp -71.48 -42.78 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.569 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . 0.639 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 8.1 tp10 -62.59 -49.64 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 54.5 mp0 -58.78 -54.4 47.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.134 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -52.85 -31.7 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.404 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -63.74 -31.05 72.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.533 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.3 tt -69.57 -52.72 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.616 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -8.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.528 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -179.672 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.081 0 N-CA-C 112.836 -0.106 . . . . 0.0 112.836 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -87.22 -38.2 16.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 4' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' Q' ' 63' ' ' ASP . 73.3 mttt -75.88 -43.84 43.49 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.38 -32.61 66.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.91 -49.62 28.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.781 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.48 82.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.091 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mt -64.82 -60.02 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 9' ' ' LEU . . . . . 0.654 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.7 mt -56.03 -39.87 72.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.415 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -32.05 63.79 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.367 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 79.3 t -90.55 -41.0 13.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.04 -26.82 69.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.158 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.49 -24.07 63.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.656 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -84.34 -8.6 58.95 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.086 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.93 118.55 14.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 41.6 p -64.45 148.03 96.75 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.589 -178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -35.11 -38.54 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.215 0 C-N-CA 122.532 2.154 . . . . 0.0 112.883 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.19 -40.62 64.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.204 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.9 mt-10 -70.57 -29.18 65.55 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 20' ' ' LEU . . . . . 0.575 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 30.6 tp -62.25 -38.11 88.03 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -64.05 -50.87 66.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.296 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -63.98 -40.25 95.97 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.414 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -47.59 -49.42 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.185 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 24' ' ' LYS . . . . . 0.575 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 35.2 mttp -59.82 -49.25 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.85 -45.88 69.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.186 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -65.63 -8.2 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.144 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 27' ' ' LEU . . . . . 0.559 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -72.56 -33.94 67.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.643 0.735 . . . . 0.0 109.305 177.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 35.39 4.03 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.941 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -123.81 -42.33 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.56 118.7 33.56 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.837 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -42.9 144.95 1.26 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.894 1.73 . . . . 0.0 112.025 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -119.6 128.05 53.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.78 170.64 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.3 107.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.466 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.17 -37.39 1.77 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.65 147.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.204 0.526 . . . . 0.0 109.645 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -131.2 -176.74 4.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.218 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.29 159.05 13.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.687 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.652 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.9 mm -82.29 124.79 77.97 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.197 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -39.96 128.01 2.01 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.29 1.993 . . . . 0.0 112.492 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 41' ' ' ARG . . . . . 0.44 ' N ' ' CD ' ' Q' ' 41' ' ' ARG . 0.9 OUTLIER -71.42 -26.0 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.234 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 -27.35 37.77 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.438 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 43' ' ' ALA . . . . . 0.774 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -82.19 -13.25 57.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.278 0.539 . . . . 0.0 111.766 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 44' ' ' LEU . . . . . 0.652 HD21 HG21 ' Q' ' 39' ' ' ILE . 56.4 mt -71.85 0.76 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.759 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 45' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -69.87 -124.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.999 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.25 7.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 47' ' ' LEU . . . . . 0.774 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.4 mp -74.84 113.64 12.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.671 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 48' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 9.2 m-20 -81.75 166.55 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.075 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 49' ' ' ILE . . . . . 0.654 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -49.53 -17.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.054 -179.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Q' Q ' 50' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 14.6 t -75.85 -61.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.878 0.37 . . . . 0.0 110.023 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.71 -31.7 70.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -39.59 94.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 55.3 m -72.41 -45.32 60.25 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.168 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 54' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 14.2 t70 -58.59 -41.26 85.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.202 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -57.27 -56.73 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 56' ' ' LEU . . . . . 0.436 HD23 HD11 ' Q' ' 39' ' ' ILE . 19.5 mt -64.66 -46.99 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.88 -35.17 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 58' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.28 -45.72 65.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.718 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 -37.44 29.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 60' ' ' TYR . . . . . 0.539 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 69.2 m-85 -104.63 -6.96 19.99 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.098 0.408 . . . . 0.0 112.074 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 61' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.55 151.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.43 -34.7 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 63' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' Q' ' 4' ' ' LYS . 6.1 m-20 -74.17 -52.11 13.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -78.87 -30.26 44.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.764 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 65' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.3 -59.46 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.701 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 66' ' ' ALA . . . . . 0.795 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.33 -45.81 12.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.92 -35.73 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 68' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.3 OUTLIER -70.59 -54.97 9.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.043 178.188 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Q' Q ' 69' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 48.7 t -58.36 -51.11 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.711 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 70' ' ' VAL . . . . . 0.795 HG23 ' O ' ' Q' ' 66' ' ' ALA . 70.1 t -49.49 -62.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.395 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.88 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 72' ' ' VAL . . . . . 0.452 HG23 ' O ' ' Q' ' 68' ' ' LEU . 52.2 t -68.15 -50.84 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.099 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 73' ' ' LEU . . . . . 0.6 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 52.6 mt -57.01 -42.98 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.21 -40.8 82.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Q' ' 75' ' ' ASP . 33.1 t0 -64.24 -29.48 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.255 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 56.4 mtp -84.94 29.48 0.63 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 58.34 35.48 24.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.6 mtt -116.74 64.94 0.71 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 79' ' ' LEU . . . . . 0.479 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.6 mm? -69.45 -24.28 63.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.752 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -84.47 -53.76 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.442 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -56.88 -52.85 63.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.522 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 82' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -56.31 -31.73 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.376 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.02 98.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -64.47 -31.04 72.08 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 85' ' ' LEU . . . . . 0.591 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.6 tt -70.82 -47.37 59.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.929 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -6.07 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.452 -179.787 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . 0.467 ' O ' ' C ' ' Q' ' 2' ' ' GLY . 9.6 tpt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' Q' ' 1' ' ' MET . . . 17.75 101.04 0.0 OUTLIER Glycine 0 N--CA 1.471 1.017 0 O-C-N 124.045 0.84 . . . . 0.0 112.871 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 79.4 m -88.51 -39.36 14.24 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.783 0.325 . . . . 0.0 110.235 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' Q' ' 66' ' ' ALA . 22.5 mtpt -77.27 -43.12 34.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.5 -29.06 65.97 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -79.05 -49.79 12.1 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.558 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.96 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 38.7 mt -62.43 -63.23 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.592 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.54 -39.41 70.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -28.65 56.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.224 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -93.25 -43.03 13.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.433 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.33 -28.4 69.19 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.179 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.37 -20.46 62.96 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.297 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.15 -9.69 54.61 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.68 117.25 13.02 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.518 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 3.2 p -65.84 150.82 95.99 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.766 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -32.2 -37.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 123.465 2.777 . . . . 0.0 114.179 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -73.78 -36.14 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.778 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' Q' ' 16' ' ' THR . 66.7 mt-10 -77.08 -33.27 57.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.944 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.32 -46.82 88.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -61.09 -51.02 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.805 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -62.35 -40.33 96.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.148 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 71.7 t80 -49.4 -51.35 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.098 0.475 . . . . 0.0 110.22 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 37.7 mttm -56.13 -50.01 72.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.53 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 15.5 mtm -73.83 -44.1 56.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.057 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -62.95 -11.02 15.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.761 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.492 HD13 HD21 ' Q' ' 56' ' ' LEU . 6.4 mt -74.58 -26.23 59.8 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.651 -0.82 . . . . 0.0 108.865 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 30.67 7.08 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 69.1 p -123.39 -45.15 2.1 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' Q' ' 32' ' ' LEU . 37.4 t -63.22 115.68 19.59 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.686 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . 0.451 ' C ' HD22 ' Q' ' 32' ' ' LEU . 76.0 Cg_exo -46.77 146.04 6.07 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.711 1.607 . . . . 0.0 111.833 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' Q' ' 30' ' ' VAL . 4.3 mm? -117.04 153.59 32.42 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.223 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -65.53 166.04 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' Q' ' 36' ' ' PHE . 50.8 mm-40 -32.86 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.88 1.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.582 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . 0.547 ' H ' ' C ' ' Q' ' 34' ' ' GLU . 16.2 m-85 -111.69 147.21 36.06 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.575 0.687 . . . . 0.0 109.984 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -137.71 -176.95 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.699 0.761 . . . . 0.0 111.328 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . 0.541 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -67.82 171.16 6.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.98 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.546 HD13 ' HZ2' ' Q' ' 55' ' ' LYS . 1.2 mm -80.24 122.25 82.64 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' HZ2' ' Q' ' 55' ' ' LYS . 55.5 Cg_exo -39.95 146.08 0.26 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 121.841 1.694 . . . . 0.0 111.872 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -57.69 -63.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.114 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.19 -10.15 9.37 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.499 -0.381 . . . . 0.0 112.832 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.56 -9.58 57.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.288 0.544 . . . . 0.0 111.758 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.525 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 14.1 mt -79.31 -67.43 0.76 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.24 32.2 4.49 Favored Glycine 0 N--CA 1.468 0.817 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.691 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -126.86 -43.86 1.67 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.02 0.438 . . . . 0.0 111.576 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.407 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 8.1 mt -82.48 135.54 35.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.788 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 172.14 13.23 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -25.17 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.448 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.08 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.203 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.11 -30.98 70.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.583 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.2 tp -66.21 -36.19 82.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 21.8 m -72.12 -47.61 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.945 177.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 18.5 t70 -58.21 -45.2 88.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.035 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . 0.546 ' HZ2' HD13 ' Q' ' 39' ' ' ILE . 25.8 tptp -62.75 -39.03 92.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.492 HD21 HD13 ' Q' ' 27' ' ' LEU . 15.1 mt -70.0 -54.49 12.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.576 0.703 . . . . 0.0 109.353 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' Q' ' 61' ' ' TYR . 53.5 t -63.55 -41.36 92.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.499 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.31 -39.2 78.4 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.529 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 86.6 p -79.88 -36.73 36.16 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.534 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.1 m-85 -109.19 -3.86 16.96 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.551 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.56 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.99 -35.58 69.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.533 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -74.77 -51.85 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -78.21 -29.5 48.36 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.642 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.36 -59.36 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.794 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.415 ' HB3' ' NZ ' ' Q' ' 4' ' ' LYS . . . -45.51 -42.09 10.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.718 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.1 -42.97 96.71 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.476 ' O ' HG23 ' Q' ' 72' ' ' VAL . 20.4 tp -66.92 -47.66 71.05 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.307 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.0 -49.93 79.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.405 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.568 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 5.3 t -50.23 -62.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.14 28.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.476 HG23 ' O ' ' Q' ' 68' ' ' LEU . 87.5 t -68.71 -51.87 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.855 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 26.5 mt -55.54 -43.33 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -54.48 -38.56 66.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.032 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.65 -31.61 72.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.819 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 23.4 mtm -84.89 28.66 0.67 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.24 34.61 20.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.219 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mmm -120.01 65.83 0.82 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.65 -49.27 49.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.206 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 79.8 mt-10 -62.72 -44.62 95.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . 0.582 ' CD ' ' H ' ' Q' ' 81' ' ' GLU . 28.2 mp0 -59.07 -56.21 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.473 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.568 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -52.71 -26.86 15.23 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -63.74 -37.99 89.44 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -64.25 -28.0 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.84 -44.92 72.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -57.43 -17.74 14.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -87.87 -4.32 58.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.814 0.34 . . . . 0.0 110.165 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.53 48.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.533 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 28.9 tpp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.19 -17.49 58.2 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 86.1 m -90.92 -29.77 17.27 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -76.52 -42.89 41.6 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.42 -45.24 76.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.57 -50.63 73.14 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.203 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.34 86.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.277 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.15 -61.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.694 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.8 mt -54.27 -40.2 67.6 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.353 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -32.13 63.72 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.935 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -89.46 -42.1 14.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.94 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.666 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.97 -23.5 62.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.241 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . 0.427 ' N ' HD22 ' Q' ' 14' ' ' ASN . 2.7 m120 -86.28 -9.61 56.14 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.882 0.373 . . . . 0.0 110.102 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.8 114.79 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.471 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.91 156.98 82.15 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.658 -178.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -32.43 -46.97 0.28 Allowed 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.829 3.019 . . . . 0.0 115.05 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' Q' ' 18' ' ' GLU . 26.9 mp0 -70.27 -35.94 74.09 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.508 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 57.6 mp0 -75.43 -32.18 60.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.182 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.26 -48.31 80.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -63.18 -46.61 86.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.382 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -67.53 -42.49 82.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.601 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 86.6 t80 -45.98 -53.79 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.45 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 40.6 mttm -57.81 -38.83 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.605 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 8.9 ttm -77.84 -46.99 19.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.036 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -62.8 -11.37 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.951 -177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.601 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.2 mt -73.98 -33.93 64.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.24 28.4 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.5 m -125.67 -50.76 1.61 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 110.119 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . 0.476 ' O ' HG13 ' Q' ' 30' ' ' VAL . 9.2 p -61.26 122.23 68.65 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.599 179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -39.34 147.52 0.15 Allowed 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.581 2.188 . . . . 0.0 113.951 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.522 HD22 ' N ' ' Q' ' 32' ' ' LEU . 3.4 mm? -106.89 137.94 44.0 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.456 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 69.6 mtt180 -69.36 -178.37 1.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.879 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 24.3 mm-40 25.29 -94.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.74 0.65 . . . . 0.0 111.973 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.74 82.15 0.11 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -100.94 159.48 15.17 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -96.8 145.89 25.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.29 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -64.05 164.31 10.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.912 -1.04 . . . . 0.0 108.716 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.728 HG21 HD21 ' Q' ' 44' ' ' LEU . 3.2 mm -83.51 125.54 73.6 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.057 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . 0.452 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 26.0 Cg_exo -37.77 116.61 0.21 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.915 1.743 . . . . 0.0 111.773 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.33 -17.15 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.869 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.11 -26.15 13.02 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.301 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.27 -8.65 59.42 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.971 0.385 . . . . 0.0 111.288 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.728 HD21 HG21 ' Q' ' 39' ' ' ILE . 60.8 mt -68.34 4.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.425 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -70.97 -127.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.787 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -49.7 7.04 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 65.2 mt -79.74 118.59 21.68 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.459 178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.44 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 1.1 m-20 -83.24 169.95 15.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.694 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.35 -16.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.7 t -75.03 -63.65 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.407 . . . . 0.0 110.402 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -67.75 -32.01 72.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.075 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.756 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -64.1 -36.3 83.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.539 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.563 ' N ' HD13 ' Q' ' 52' ' ' LEU . 41.7 m -71.61 -44.02 65.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.178 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 9.9 t70 -59.13 -40.69 86.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.745 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -59.21 -57.38 13.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.371 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.412 HD11 HD13 ' Q' ' 27' ' ' LEU . 28.8 mt -61.59 -48.04 82.74 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.358 0.599 . . . . 0.0 110.208 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 23.9 t -61.69 -34.41 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.87 -46.05 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -81.3 -37.9 27.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.549 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 71.5 m-85 -102.15 -6.97 22.62 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.068 -0.395 . . . . 0.0 111.752 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 80.54 147.77 0.09 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.04 0.448 . . . . 0.0 110.946 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 32.1 mp0 -52.14 -48.55 64.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.35 -47.09 58.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -175.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -81.05 -28.32 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.042 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.87 -57.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 118.943 -1.103 . . . . 0.0 108.626 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.709 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.63 -47.6 10.45 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -58.58 -39.33 80.05 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -68.42 -50.0 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.47 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 61.3 t -60.62 -49.11 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.243 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.709 HG23 ' O ' ' Q' ' 66' ' ' ALA . 69.0 t -49.67 -61.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.63 51.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.446 HG23 ' O ' ' Q' ' 68' ' ' LEU . 53.9 t -66.18 -50.86 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.534 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.563 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 32.7 mt -58.32 -41.55 84.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -57.48 -40.8 79.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 109.885 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.87 -27.39 67.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mmm -83.84 22.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.343 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 60.5 32.79 20.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.223 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtp -113.81 64.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 28.5 mt -68.47 -27.09 65.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.436 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' Q' ' 80' ' ' GLU . 10.4 mp0 -80.43 -50.45 10.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 111.201 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.49 -53.42 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.371 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -56.59 -34.66 67.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.298 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.13 99.46 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmt-85 -64.07 -29.03 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.592 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.7 tt -71.14 -48.04 54.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.082 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -58.18 -9.41 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.698 0.285 . . . . 0.0 111.48 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 39.6 mtp180 -88.79 3.57 50.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.649 0.261 . . . . 0.0 110.422 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.93 40.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptt? . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.04 93.6 1.82 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 80.1 m -89.81 -39.35 13.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -74.65 -46.88 35.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -56.51 -31.51 64.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -78.24 -47.05 18.79 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.432 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.45 92.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.965 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.33 -62.39 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.623 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.626 HD21 ' O ' ' Q' ' 49' ' ' ILE . 12.1 mt -53.61 -40.14 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.43 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -54.97 -30.87 60.12 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.525 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -91.85 -43.67 14.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.434 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.19 -25.49 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 109.31 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -69.4 -22.51 63.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.578 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.86 -9.7 58.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.85 116.88 12.75 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -66.17 151.81 95.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -31.08 -42.54 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.533 2.822 . . . . 0.0 113.858 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' Q' ' 18' ' ' GLU . 19.5 mp0 -69.85 -55.12 10.63 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.754 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 13.3 mp0 -60.24 -27.72 67.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.001 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . 0.559 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 28.0 tp -62.26 -42.67 99.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.32 -53.34 54.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.561 -1.199 . . . . 0.0 111.363 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -63.07 -40.76 98.64 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.546 ' O ' HD13 ' Q' ' 27' ' ' LEU . 88.9 t80 -49.11 -58.13 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.288 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.559 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 44.7 mttp -51.59 -37.25 49.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.445 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 48.1 mtp -78.86 -39.47 35.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.964 0.411 . . . . 0.0 110.401 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -65.93 -8.75 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.081 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.859 HD21 HD11 ' Q' ' 56' ' ' LEU . 6.0 mp -67.58 -27.72 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.31 31.25 6.49 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.418 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.7 m -121.09 -47.37 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.01 0.433 . . . . 0.0 109.868 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.68 118.43 19.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.46 144.84 1.83 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.661 1.574 . . . . 0.0 111.637 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.53 131.81 56.64 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.533 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 0.1 OUTLIER -69.85 176.22 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.8 99.17 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.53 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.72 -23.74 1.04 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 3.4 m-85 -121.75 154.13 37.34 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -135.08 -176.91 4.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.488 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -62.55 156.88 21.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.616 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.637 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.5 mm -82.26 130.08 61.07 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.701 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 42.7 Cg_exo -40.01 117.58 0.44 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.706 1.604 . . . . 0.0 111.671 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -67.9 -28.05 67.17 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.148 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.93 -27.84 48.45 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.565 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -83.02 -13.09 56.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.32 0.56 . . . . 0.0 112.01 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.637 HD21 HG21 ' Q' ' 39' ' ' ILE . 58.5 mt -69.3 6.48 1.0 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.917 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -72.2 -126.13 0.08 OUTLIER Glycine 0 CA--C 1.532 1.132 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.047 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . 0.406 ' HG3' ' H ' ' Q' ' 46' ' ' GLN . 23.2 mt-30 -45.55 5.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 -177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 78.8 mt -78.91 118.9 21.36 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.282 0.946 . . . . 0.0 111.032 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 2.1 m-20 -82.1 167.06 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.443 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.626 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.83 -19.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.041 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 61.2 t -74.58 -62.82 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 1.5 m-20 -68.54 -32.84 73.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.084 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.798 HD22 ' O ' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.27 -33.99 77.08 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 178.14 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.713 ' N ' HD13 ' Q' ' 52' ' ' LEU . 23.9 m -72.86 -46.2 54.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 9.9 t70 -56.47 -39.77 73.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.846 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -58.1 -53.38 58.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.859 HD11 HD21 ' Q' ' 27' ' ' LEU . 13.4 mt -63.3 -49.39 74.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.18 0.514 . . . . 0.0 109.71 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.66 -35.02 71.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.33 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.45 -46.07 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 111.081 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 24.3 p -81.76 -36.0 29.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 79.9 m-85 -107.28 -3.35 19.81 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.296 0.498 . . . . 0.0 112.302 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.9 152.63 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 110.025 -179.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -54.45 -43.75 71.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.56 -49.97 28.77 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . 0.533 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.2 t80 -78.77 -28.87 44.79 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 119.658 -0.817 . . . . 0.0 110.157 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.84 -58.21 9.37 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 118.989 -1.084 . . . . 0.0 108.664 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.488 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.25 -43.74 10.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.825 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.37 -39.6 91.24 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 4.5 tt -68.56 -50.81 48.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.82 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.54 -47.46 81.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.536 ' CG1' ' HE ' ' Q' ' 74' ' ' ARG . 22.3 t -49.79 -63.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.64 -27.56 17.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.429 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.6 t -69.49 -52.9 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.639 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.671 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 46.3 mt -55.36 -44.1 75.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.79 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . 0.536 ' HE ' ' CG1' ' Q' ' 70' ' ' VAL . 93.3 mtt-85 -57.16 -38.93 74.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.433 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' NE ' ' Q' ' 77' ' ' ARG . 37.6 t70 -65.2 -30.17 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.041 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 43.8 mtm -83.71 26.37 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.924 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . 0.708 ' HE ' ' H ' ' Q' ' 77' ' ' ARG . 0.0 OUTLIER 58.42 36.02 25.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.8 mmt -120.19 68.09 0.84 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . 0.508 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.5 mm? -68.96 -21.55 64.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.995 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 38.5 mt-10 -82.4 -47.37 12.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.588 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -58.24 -57.86 11.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.9 -31.1 48.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.265 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.83 -45.63 93.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -65.34 -28.33 69.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.615 ' O ' HD23 ' Q' ' 85' ' ' LEU . 2.2 tt -71.08 -46.48 61.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.143 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 8.2 tm0? -57.69 -12.6 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . 0.47 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 74.5 mtp180 -87.36 -0.15 56.33 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.379 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.32 41.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.277 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' Q' ' 1' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.74 -10.88 82.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.4 m -94.03 -35.97 12.35 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.683 0.278 . . . . 0.0 110.356 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -75.17 -45.36 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -57.89 -25.5 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.44 -49.78 8.96 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.812 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.72 84.58 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.53 -62.73 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.687 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.34 -39.42 69.99 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -55.89 -32.31 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.787 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . 0.734 HG21 HD21 ' Q' ' 85' ' ' LEU . 31.9 t -90.49 -42.04 13.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.222 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.69 -28.11 69.17 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.374 -0.93 . . . . 0.0 109.689 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.23 -21.38 64.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.208 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' Q' ' 14' ' ' ASN . 1.8 m-20 -84.16 -11.62 56.29 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.87 117.67 13.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 176.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.549 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 75.4 p -65.64 147.46 98.69 Favored Pre-proline 0 C--N 1.32 -0.707 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.55 -178.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -33.99 -39.21 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.926 2.417 . . . . 0.0 113.358 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' Q' ' 18' ' ' GLU . 20.5 mp0 -73.53 -38.21 65.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.21 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' Q' ' 16' ' ' THR . 34.4 mt-10 -71.27 -30.65 66.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.168 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.06 -38.73 87.24 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -63.63 -52.86 58.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.339 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -65.08 -40.88 95.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.407 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 87.3 t80 -47.74 -62.29 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.436 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -54.06 -36.4 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.808 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.1 ttt -74.23 -42.27 60.0 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -65.54 -8.49 20.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.68 -21.39 66.1 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.039 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.79 28.78 10.41 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 17.2 m -118.13 -50.17 2.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 4.9 t -59.11 121.1 52.97 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.165 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . 0.469 ' C ' HD12 ' Q' ' 32' ' ' LEU . 88.1 Cg_exo -40.92 147.56 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.007 1.805 . . . . 0.0 112.567 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' Q' ' 30' ' ' VAL . 8.0 mp -116.96 126.61 53.19 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -68.91 168.31 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.61 92.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.677 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.79 -17.46 0.56 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -117.81 147.38 43.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.288 0.566 . . . . 0.0 110.794 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -121.34 179.41 4.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.362 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -67.1 169.64 8.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' Q' ' 39' ' ' ILE . 23.2 mm -83.59 114.95 56.97 Favored Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -37.82 125.36 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.786 1.657 . . . . 0.0 111.797 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -58.44 -41.07 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.253 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.13 -24.8 76.68 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.749 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.576 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -82.6 -7.01 59.66 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.37 6.81 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.318 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -76.35 -121.28 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.819 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -51.16 12.2 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.576 HD12 ' O ' ' Q' ' 43' ' ' ALA . 27.8 mt -72.39 97.98 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -80.15 166.91 20.99 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -22.97 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.457 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.44 -60.08 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.214 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.34 -33.23 74.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.584 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.76 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.4 -36.52 84.4 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.047 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.407 ' N ' HD13 ' Q' ' 52' ' ' LEU . 19.3 m -71.52 -48.1 51.0 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.899 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.7 t70 -57.14 -42.23 80.61 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.713 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -57.33 -54.65 44.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.954 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.64 -48.75 75.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.121 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.48 -35.06 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.42 -44.55 67.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -81.99 -37.48 26.56 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.542 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 84.3 m-85 -106.95 -6.22 17.68 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.549 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 77.73 152.9 0.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' Q' ' 62' ' ' GLU . 50.5 mp0 -57.46 -35.18 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.58 -52.32 13.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.7 -29.8 45.65 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.776 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.68 -60.5 3.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.412 -0.915 . . . . 0.0 108.889 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.463 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.11 -45.82 11.41 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.21 -38.35 86.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.57 ' O ' HD23 ' Q' ' 68' ' ' LEU . 2.5 tt -68.15 -48.79 64.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.568 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 93.7 t -56.04 -47.17 80.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.21 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.463 HG23 ' O ' ' Q' ' 66' ' ' ALA . 29.5 t -48.04 -64.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.389 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.76 -29.88 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.5 HG23 ' O ' ' Q' ' 68' ' ' LEU . 61.9 t -68.86 -54.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.591 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 44.5 mt -54.53 -42.08 70.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -56.55 -38.86 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.336 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.97 -28.88 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.35 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 64.5 mtt -85.64 23.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.194 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 59.07 50.63 7.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.89 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . 0.485 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 16.2 mmt -125.15 65.55 1.13 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.139 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . 0.579 HD12 ' N ' ' Q' ' 79' ' ' LEU . 8.1 mp -70.31 -21.59 62.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.851 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -88.5 -52.08 5.36 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.272 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . 0.485 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 10.6 mt-10 -59.21 -57.26 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.967 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.1 -28.75 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.748 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.31 77.21 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -67.4 -29.11 68.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.824 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.734 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.2 mm? -73.52 -41.02 63.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.278 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' Q' ' 86' ' ' GLN . 2.2 tm0? -62.75 -3.86 1.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.872 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -85.25 12.0 8.92 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -81.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.203 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.525 179.818 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.16 23.73 26.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -88.94 -38.38 14.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.371 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -74.67 -43.15 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.8 -41.57 74.32 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.7 -48.34 72.33 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.4 mt -61.91 -60.84 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.622 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.5 mt -56.93 -37.72 71.9 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -57.53 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.17 -42.12 14.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.61 -26.28 67.88 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.941 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -84.62 -8.75 58.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.934 0.397 . . . . 0.0 109.966 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 70.7 mt -71.99 117.35 13.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.524 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.1 p -65.06 150.81 94.84 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -31.05 -41.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.178 0 C-N-CA 123.254 2.636 . . . . 0.0 113.633 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' Q' ' 18' ' ' GLU . 13.1 mp0 -72.03 -40.52 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.602 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.2 mt-10 -76.27 -29.3 57.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 17.3 tp -64.08 -52.39 59.51 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.44 -47.33 86.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.94 -43.7 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.765 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -46.99 -47.43 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.066 0.46 . . . . 0.0 109.854 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -58.14 -43.67 87.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.27 -43.44 56.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.896 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -61.89 -8.8 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.098 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.583 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -68.76 -31.95 71.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.444 0.64 . . . . 0.0 109.363 177.578 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.95 27.23 6.1 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 23.3 m -117.04 -48.04 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.6 135.55 86.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.811 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -68.16 148.9 75.87 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.596 1.531 . . . . 0.0 111.463 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.431 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.1 mm? -117.79 130.02 56.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.426 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 84.2 mtt-85 -69.27 -172.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.41 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -70.31 124.28 23.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.624 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.4 -38.72 2.87 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.6 m-85 -105.02 150.38 24.99 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.367 0.604 . . . . 0.0 110.688 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -138.4 -176.1 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.541 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.02 157.38 22.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.98 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.753 HG21 HD21 ' Q' ' 44' ' ' LEU . 4.7 mm -82.11 128.58 67.43 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.478 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -38.52 113.12 0.14 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.986 1.791 . . . . 0.0 111.831 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -62.14 -24.68 67.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.9 -26.91 33.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.57 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.556 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.57 -10.87 57.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.969 0.385 . . . . 0.0 111.822 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.753 HD21 HG21 ' Q' ' 39' ' ' ILE . 74.1 mt -64.81 1.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.911 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.71 -115.34 0.04 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -47.99 2.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.556 HD12 ' O ' ' Q' ' 43' ' ' ALA . 22.3 mt -72.94 102.41 3.45 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.259 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -80.83 165.89 21.45 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.622 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.83 -20.29 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.925 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.27 -62.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.14 -31.35 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.461 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.43 HD13 ' O ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -63.87 -38.09 89.82 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 177.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 21.4 m -71.59 -44.69 64.0 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.787 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 28.6 t70 -60.0 -42.31 93.98 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.058 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -58.0 -54.14 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.217 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.57 -48.18 75.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.138 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . 0.4 ' CG1' ' OE2' ' Q' ' 62' ' ' GLU . 40.4 t -62.99 -35.58 72.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.37 -42.58 71.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 27.4 t -82.22 -38.04 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.519 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 81.4 m-85 -106.62 -3.84 20.24 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 75.05 155.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' Q' ' 62' ' ' GLU . 36.1 mp0 -56.18 -37.11 69.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.217 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.98 -53.29 9.21 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . 0.426 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 2.9 t80 -75.54 -28.51 59.08 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.827 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.77 -57.37 13.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.786 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.08 -41.9 5.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.965 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -63.7 -42.53 97.97 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 12.9 tp -67.94 -52.12 39.73 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.49 -51.21 51.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.608 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 4.9 t -50.99 -62.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.643 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.63 -30.33 13.21 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.406 HG23 ' O ' ' Q' ' 68' ' ' LEU . 77.4 t -67.7 -50.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.449 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 27.0 mt -56.98 -43.39 81.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.777 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -55.61 -41.9 74.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.394 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.34 -29.03 70.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.812 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.6 mmm -86.37 32.25 0.64 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.438 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' Q' ' 77' ' ' ARG . 10.4 mpt_? 57.03 39.15 29.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.554 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.8 mtt -120.66 58.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 mt -69.26 -19.25 63.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -91.62 -47.27 7.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.958 0.409 . . . . 0.0 111.143 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' Q' ' 81' ' ' GLU . 16.7 mt-10 -60.68 -54.26 47.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -57.65 -30.31 65.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.5 81.16 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -66.44 -28.56 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.61 -45.57 68.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -62.07 -7.21 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.247 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -84.81 -8.79 58.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.055 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.28 47.61 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.548 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.13 64.44 0.53 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 21.9 m -88.8 -35.78 16.44 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -76.56 -42.84 41.35 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -56.04 -35.97 67.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -70.56 -49.19 50.59 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.805 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.57 90.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.116 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.1 mt -62.9 -58.87 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.593 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.8 mt -56.47 -40.9 75.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . 0.424 ' O ' ' ND2' ' Q' ' 14' ' ' ASN . 0.4 OUTLIER -55.53 -33.89 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.288 -179.495 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.9 t -90.02 -43.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.72 -26.83 68.29 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.466 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -70.35 -24.5 62.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' Q' ' 10' ' ' LYS . 3.8 m-80 -84.92 -8.69 58.66 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.007 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -70.42 119.77 15.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.547 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 7.5 p -63.2 150.38 89.11 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -31.26 -43.97 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.207 0 C-N-CA 123.226 2.617 . . . . 0.0 113.288 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.66 -39.55 70.24 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.486 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' Q' ' 16' ' ' THR . 46.6 mt-10 -73.82 -30.53 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 16.7 tp -63.46 -54.0 43.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -63.07 -41.79 99.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.981 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -64.26 -41.41 96.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -47.77 -42.11 24.9 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -60.4 -43.34 96.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.55 -48.89 15.86 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.71 -10.65 28.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.332 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.99 -39.68 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 31.4 4.75 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 79.8 m -117.64 -40.75 3.0 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.88 136.53 93.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.674 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.24 149.24 88.86 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 121.268 1.312 . . . . 0.0 110.65 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -119.05 135.83 54.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.991 0.424 . . . . 0.0 110.134 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' Q' ' 36' ' ' PHE . 75.7 mtt-85 -68.75 169.61 10.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.231 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' Q' ' 36' ' ' PHE . 15.0 mm-40 -39.0 -88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.486 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -32.89 -26.29 0.01 OUTLIER Glycine 0 CA--C 1.531 1.073 0 CA-C-N 116.101 -0.5 . . . . 0.0 113.189 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' Q' ' 34' ' ' GLU . 10.1 m-85 -100.93 133.15 45.85 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.507 0.67 . . . . 0.0 110.447 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -113.25 -177.63 3.18 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.792 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -66.93 170.04 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.168 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.575 ' CD1' ' HZ2' ' Q' ' 55' ' ' LYS . 3.4 mm -91.16 117.27 67.76 Favored Pre-proline 0 CA--C 1.537 0.469 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -39.67 112.65 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.53 1.486 . . . . 0.0 111.643 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -61.25 -20.78 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.829 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.59 -26.84 28.81 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.274 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.811 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -82.64 -8.68 59.59 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.99 0.395 . . . . 0.0 111.929 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' Q' ' 44' ' ' LEU . 33.2 mt -73.04 1.08 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.817 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.56 -122.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.051 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . 0.414 ' HG2' ' H ' ' Q' ' 46' ' ' GLN . 38.7 mm-40 -50.88 11.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.811 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.7 mp -76.9 108.23 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 27.5 m-20 -82.8 169.31 16.26 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.593 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.69 -18.97 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.939 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 57.4 t -76.8 -63.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 109.889 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 0.9 OUTLIER -68.14 -32.94 73.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.549 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 tp -65.11 -35.15 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 15.5 m -72.58 -45.48 58.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 27.5 t0 -59.12 -48.03 83.1 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.024 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . 0.575 ' HZ2' ' CD1' ' Q' ' 39' ' ' ILE . 26.2 tptp -58.78 -40.6 84.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.28 -55.68 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.142 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.32 -34.89 72.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.104 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.71 -45.9 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.4 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -81.61 -37.11 28.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' O ' ' O ' ' Q' ' 61' ' ' TYR . 96.4 m-85 -109.59 22.62 15.51 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.134 -0.354 . . . . 0.0 111.65 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 50.72 153.44 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.74 0.781 . . . . 0.0 112.181 178.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -52.95 -45.95 67.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.189 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' Q' ' 64' ' ' TYR . 5.4 p-10 -74.02 -50.3 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' Q' ' 63' ' ' ASP . 27.9 t80 -75.49 -26.5 58.21 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.161 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -61.63 -56.2 22.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.386 -0.926 . . . . 0.0 108.758 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.421 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -43.77 -44.01 6.44 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.833 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.83 -39.87 90.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -66.91 -51.02 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.302 178.725 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -57.35 -49.94 78.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.494 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.589 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 24.7 t -50.16 -64.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.86 -29.13 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.406 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.4 t -69.19 -50.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.641 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.49 -44.99 81.18 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.695 -0.402 . . . . 0.0 109.932 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -56.66 -40.72 75.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.942 0.401 . . . . 0.0 110.294 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.66 -27.12 69.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.453 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtm -86.53 15.75 5.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.236 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 70.64 40.85 0.98 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 14.5 mmt -120.76 65.37 0.85 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . 0.553 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.2 mm? -70.41 -20.74 62.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.701 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.628 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 42.2 mt-10 -89.63 -50.51 6.03 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 55.5 mp0 -58.39 -51.43 69.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -53.11 -24.91 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -61.65 -37.28 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -65.27 -30.71 71.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.836 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.16 -45.7 72.78 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -58.62 -19.31 37.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -88.37 -0.03 56.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.204 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.53 46.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.514 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.578 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 46.8 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.31 107.78 3.48 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m -90.37 -40.3 12.17 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.781 0.324 . . . . 0.0 110.423 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -72.29 -45.68 59.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -56.91 -30.62 64.11 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -79.52 -47.04 16.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.138 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.08 89.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 109.804 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.42 -61.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.649 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.69 HD21 ' O ' ' Q' ' 49' ' ' ILE . 10.3 mt -53.3 -40.77 65.02 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.55 -33.76 60.69 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.821 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . 0.625 HG21 HD21 ' Q' ' 85' ' ' LEU . 40.6 t -91.64 -40.36 12.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.13 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.22 -26.72 67.93 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.403 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.33 -23.58 63.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.159 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.16 -10.5 56.63 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.908 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.56 119.34 15.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.544 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.7 p -66.31 151.3 96.07 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -31.81 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 123.211 2.608 . . . . 0.0 113.496 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -70.19 -36.32 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.628 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' Q' ' 16' ' ' THR . 41.9 mt-10 -75.71 -30.07 59.18 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.87 -55.07 33.64 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.45 -44.34 92.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.785 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -63.1 -38.79 92.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 44.3 t80 -50.55 -51.3 49.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 110.19 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -57.59 -48.74 78.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.962 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.5 ttt -72.94 -42.09 63.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.239 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -62.21 -9.75 8.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.532 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.657 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.3 OUTLIER -72.02 -34.55 68.93 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.404 0.621 . . . . 0.0 109.558 177.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.67 30.59 3.45 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.211 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 p -129.46 -44.78 1.23 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.022 0.439 . . . . 0.0 110.365 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.57 114.16 8.83 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.225 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.25 143.48 10.69 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.378 1.385 . . . . 0.0 110.687 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.667 HD22 ' N ' ' Q' ' 32' ' ' LEU . 1.9 mm? -103.68 150.27 24.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.233 0.54 . . . . 0.0 111.475 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.473 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 56.2 mtt-85 -67.81 -179.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.715 178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 46.6 mm-40 20.22 -92.17 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.8 0.688 . . . . 0.0 112.107 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.38 86.83 0.1 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.731 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -99.95 158.78 15.57 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -91.02 154.78 19.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.4 0.619 . . . . 0.0 111.043 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -59.69 170.62 1.05 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.357 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 25.5 mm -95.93 117.37 66.39 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 119.451 -0.309 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -40.89 108.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.464 1.443 . . . . 0.0 111.025 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.72 -19.99 63.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.049 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.97 -20.17 40.39 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.29 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.771 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -86.72 -15.44 39.48 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 117.098 0.449 . . . . 0.0 112.079 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 60.6 mt -71.61 -8.74 55.95 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.081 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -57.03 -114.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.837 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' Q' ' 46' ' ' GLN . 0.7 OUTLIER -50.67 8.19 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -178.029 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.771 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.0 mp -81.04 111.38 17.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.326 0.512 . . . . 0.0 111.019 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 34.4 m-20 -81.04 166.69 20.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.69 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.91 -18.09 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 97.2 t -76.47 -63.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' Q' ' 51' ' ' ASP . 3.9 m-20 -69.93 -33.94 72.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.45 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -64.11 -29.3 70.44 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 5.2 m -75.83 -45.23 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 30.8 t70 -59.31 -45.37 91.49 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.6 -51.23 69.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.123 0.487 . . . . 0.0 110.693 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.54 -48.01 71.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.417 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.92 -36.52 77.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.214 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.42 -44.22 65.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.395 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.4 p -78.73 -32.26 46.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.538 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 44.5 m-85 -109.35 -6.32 15.53 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.538 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 78.8 150.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.0 109.937 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.26 -37.52 69.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.28 -53.76 9.08 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -176.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' Q' ' 64' ' ' TYR . 1.8 t80 -73.41 -31.82 64.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.052 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.659 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -42.47 -43.16 3.54 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -65.26 -40.0 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 21.2 tp -67.62 -44.2 78.58 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.4 t -54.09 -47.91 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.62 -65.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.46 -32.58 7.99 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.516 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 63.7 t -65.15 -53.82 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.443 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.483 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 60.0 mt -53.43 -37.82 62.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' Q' ' 76' ' ' MET . 93.2 mtt180 -67.2 -16.79 64.51 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 18.7 t0 -54.04 -34.76 60.85 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . 0.451 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 17.5 mtt -84.78 -133.24 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 174.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 61.6 mmt-85 -133.75 69.0 1.47 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -112.68 50.55 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.723 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.46 -23.0 66.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.594 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 11.1 tm-20 -96.57 -55.89 2.77 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -58.97 -54.9 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -54.83 -21.44 11.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.691 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -66.72 -34.98 79.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -66.21 -29.02 69.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.818 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.625 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.2 mm? -73.43 -27.43 61.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.297 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 -23.43 67.25 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -79.88 3.79 18.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.02 53.59 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.744 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.519 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' Q' ' 1' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' Q' ' 1' ' ' MET . . . 21.81 101.68 0.0 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.004 0.815 . . . . 0.0 112.539 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m -89.61 -42.09 11.59 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.214 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.17 -45.96 45.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -56.19 -27.94 56.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -82.39 -45.93 14.2 Favored 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.815 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.1 -39.05 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.433 . . . . 0.0 109.863 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . 0.421 HG21 HG23 ' Q' ' 53' ' ' THR . 69.4 mt -62.38 -60.69 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.744 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.47 -39.6 70.58 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -30.24 62.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.989 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -92.36 -43.15 13.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.96 -30.1 70.05 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.95 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -68.27 -20.76 64.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.601 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . 0.674 HD22 ' N ' ' Q' ' 14' ' ' ASN . 1.0 OUTLIER -85.94 -9.67 56.49 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.39 119.41 14.52 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.529 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 11.9 p -62.32 149.24 87.99 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.285 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -32.43 -42.42 0.14 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 C-N-CA 123.197 2.598 . . . . 0.0 113.915 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.21 -31.54 62.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.365 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' Q' ' 16' ' ' THR . 92.0 mt-10 -75.56 -34.65 60.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.498 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . 0.611 HD11 ' HZ3' ' Q' ' 24' ' ' LYS . 25.4 tp -63.12 -42.73 99.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -61.78 -52.41 64.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.614 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -42.76 91.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -46.31 -53.89 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.392 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.611 ' HZ3' HD11 ' Q' ' 20' ' ' LEU . 40.7 mttp -56.22 -41.67 76.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.258 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 4.3 ttt -73.42 -44.83 57.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' Q' ' 76' ' ' MET . 47.1 mttm -62.43 -8.28 5.85 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.097 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.697 HD11 HD11 ' Q' ' 56' ' ' LEU . 1.6 tt -69.63 -28.17 65.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.79 29.76 7.64 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.69 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 74.7 p -118.95 -45.43 2.57 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.11 134.47 84.22 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.566 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.58 149.93 68.65 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.566 1.511 . . . . 0.0 111.233 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.436 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.2 mm? -118.12 131.68 56.4 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.834 0.349 . . . . 0.0 110.147 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.472 ' HD2' ' H ' ' Q' ' 33' ' ' ARG . 0.2 OUTLIER -70.59 -171.89 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.394 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -72.22 126.16 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.76 -36.36 3.7 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 0.4 OUTLIER -111.31 151.66 28.13 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.273 0.559 . . . . 0.0 110.161 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -134.94 -176.91 4.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.241 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . 0.576 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -63.37 157.25 23.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.789 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.758 HG21 HD21 ' Q' ' 44' ' ' LEU . 3.7 mm -82.0 129.5 64.17 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.576 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -37.71 110.05 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.186 1.924 . . . . 0.0 111.736 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.0 -16.63 52.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.817 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.3 -27.26 15.99 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.073 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.96 -8.55 59.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.87 0.335 . . . . 0.0 111.687 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.758 HD21 HG21 ' Q' ' 39' ' ' ILE . 83.1 mt -69.72 -50.29 45.0 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.085 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.75 20.64 2.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 19.5 mt-30 -127.01 -40.93 1.83 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 111.501 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.69 125.83 30.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -81.68 173.52 12.25 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -27.83 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.507 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.77 -59.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.004 0.43 . . . . 0.0 110.355 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.87 -29.65 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.5 OUTLIER -65.34 -38.4 90.0 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.364 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.421 HG23 HG21 ' Q' ' 8' ' ' ILE . 54.9 m -69.74 -47.0 64.64 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.684 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -58.61 -43.19 89.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.986 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -59.72 -50.43 73.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.719 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.697 HD11 HD11 ' Q' ' 27' ' ' LEU . 9.9 mt -64.1 -51.4 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.31 0.576 . . . . 0.0 109.733 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.91 -37.64 79.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.809 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.83 -43.1 72.67 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.124 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -81.77 -37.16 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.6 m-85 -108.86 -4.03 17.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.54 152.22 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.028 0.442 . . . . 0.0 110.047 -179.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -55.72 -38.98 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.434 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.84 -50.16 21.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -81.09 -28.69 35.13 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.931 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.13 -58.37 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.09 -1.044 . . . . 0.0 108.631 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.572 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.25 -44.1 10.95 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.649 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -61.32 -40.41 94.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.579 ' O ' HD23 ' Q' ' 68' ' ' LEU . 3.5 tt -67.23 -48.87 66.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 178.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.99 -47.04 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.198 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.572 HG23 ' O ' ' Q' ' 66' ' ' ALA . 39.5 t -51.61 -62.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.901 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.464 HG23 ' O ' ' Q' ' 68' ' ' LEU . 84.0 t -67.74 -49.28 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.539 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.21 -43.56 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -56.61 -39.74 74.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.46 -27.78 68.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' SD ' ' CE ' ' Q' ' 26' ' ' LYS . 50.4 mmm -84.77 32.61 0.52 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 49.04 29.01 2.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.985 0.421 . . . . 0.0 110.355 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . 0.491 ' SD ' ' OE2' ' Q' ' 81' ' ' GLU . 13.0 mmt -114.38 68.47 0.7 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 41.0 mt -69.52 -23.02 63.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.87 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 88.7 mt-10 -78.05 -47.54 18.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . 0.491 ' OE2' ' SD ' ' Q' ' 78' ' ' MET . 87.0 mt-10 -54.09 -56.58 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 0.0 111.131 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.55 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.27 -29.27 60.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.457 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -59.25 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.202 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . 0.503 ' N ' ' CD ' ' Q' ' 84' ' ' ARG . 0.9 OUTLIER -64.72 -25.48 67.95 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.561 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.5 tt -73.36 -49.44 27.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.955 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' Q' ' 88' ' ' ALA . 24.4 tt0 -58.44 -7.17 0.82 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.17 21.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' Q' ' 86' ' ' GLN . . . -160.23 111.09 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.936 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.554 -179.712 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.97 105.26 3.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 15.6 m -91.68 -40.18 11.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.321 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . 0.475 ' NZ ' ' C ' ' Q' ' 89' ' ' ALA . 47.2 mttp -75.06 -45.36 42.01 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.74 -24.8 58.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -86.1 -48.21 8.83 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.914 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.28 85.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.97 -62.98 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.757 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 41.6 mt -54.72 -39.61 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.535 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.92 -32.44 53.53 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.653 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . 0.762 HG21 HD21 ' Q' ' 85' ' ' LEU . 37.8 t -90.97 -41.54 13.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.669 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.94 -28.75 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.552 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.11 -24.17 64.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.709 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -85.35 -9.1 58.04 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.244 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -70.52 119.09 14.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.8 p -64.98 152.78 90.34 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.722 -178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -32.1 -51.26 0.33 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 123.329 2.686 . . . . 0.0 113.74 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -69.0 -30.64 69.08 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.702 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -78.45 -34.67 47.59 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.82 -50.42 72.38 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.17 -46.01 92.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.67 -42.05 95.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.497 ' CE1' HG11 ' Q' ' 72' ' ' VAL . 83.5 t80 -51.91 -46.81 64.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.929 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.84 -47.66 82.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.695 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 11.1 mtp -75.36 -38.24 60.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -63.97 -11.48 29.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.462 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 7.2 mt -75.95 -33.69 59.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.61 31.74 3.82 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -126.77 -40.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.04 116.64 19.9 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.139 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -43.81 146.8 1.39 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.734 1.622 . . . . 0.0 111.902 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.476 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.0 mm? -117.61 143.11 46.45 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.933 0.397 . . . . 0.0 110.05 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.462 ' CZ ' ' OH ' ' Q' ' 64' ' ' TYR . 98.6 mtt180 -68.25 178.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -72.82 16.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -125.1 -21.1 2.14 Favored Glycine 0 N--CA 1.47 0.911 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -119.66 150.67 39.96 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.302 0.572 . . . . 0.0 110.55 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -122.08 -178.4 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.824 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . 0.592 ' H ' ' CD ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -68.34 164.32 21.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.076 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.77 HG21 HD21 ' Q' ' 44' ' ' LEU . 4.9 mm -86.11 125.96 66.67 Favored Pre-proline 0 CA--C 1.54 0.575 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -39.05 117.71 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.793 1.662 . . . . 0.0 111.577 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -64.03 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.973 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.52 -23.95 29.8 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.582 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.3 -10.1 58.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 117.327 0.564 . . . . 0.0 111.806 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.77 HD21 HG21 ' Q' ' 39' ' ' ILE . 84.4 mt -66.79 3.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.935 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' Q' ' 43' ' ' ALA . . . -65.65 -113.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.858 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -62.01 13.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.582 HD12 ' O ' ' Q' ' 43' ' ' ALA . 20.5 mt -73.26 100.88 3.24 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.019 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 10.3 m-20 -79.37 164.55 23.94 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -20.95 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.141 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.416 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 43.0 t -75.35 -62.65 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.203 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 -32.48 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -63.23 -34.76 78.36 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.412 ' N ' HD13 ' Q' ' 52' ' ' LEU . 26.5 m -74.57 -44.32 51.47 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.342 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' Q' ' 58' ' ' ALA . 48.4 t0 -59.36 -36.45 75.77 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.778 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.24 -54.79 35.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.452 HD11 HD13 ' Q' ' 27' ' ' LEU . 15.5 mt -64.71 -46.81 80.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.096 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -61.77 -36.25 72.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.93 -40.95 71.76 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.792 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 32.8 t -83.15 -37.26 23.95 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.521 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 77.2 m-85 -106.76 -7.65 17.14 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 78.51 154.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' Q' ' 62' ' ' GLU . 1.4 mp0 -55.43 -36.52 66.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.297 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -75.12 -52.32 11.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . 0.462 ' OH ' ' CZ ' ' Q' ' 33' ' ' ARG . 6.0 t80 -76.55 -30.16 56.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.83 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.51 -58.09 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 119.02 -1.072 . . . . 0.0 108.561 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.87 -45.62 7.59 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.4 -35.41 77.44 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 1.1 tt -69.49 -46.56 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.325 178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -56.87 -47.47 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.205 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -49.78 -65.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.83 -31.61 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' Q' ' 23' ' ' PHE . 78.6 t -65.67 -52.79 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.286 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 35.7 mt -54.15 -38.91 66.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.8 mtt180 -67.16 -17.35 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 9.9 t0 -52.88 -34.13 53.18 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' Q' ' 76' ' ' MET . 2.7 mpp? -85.66 -134.31 0.06 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 104.145 -2.539 . . . . 0.0 104.145 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -132.16 66.82 1.54 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.9 mmt -113.39 51.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.587 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.82 -19.46 65.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.74 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.645 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 64.9 tt0 -97.99 -56.19 2.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.43 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -57.5 -54.55 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.591 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -53.62 -21.64 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -64.1 -35.42 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -65.96 -31.19 71.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.895 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.762 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.1 mm? -72.63 -43.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.858 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' Q' ' 86' ' ' GLN . 13.6 tm0? -64.31 -12.53 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -86.01 0.02 54.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.054 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.22 -80.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.526 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . 0.475 ' C ' ' NZ ' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.645 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.22 25.05 26.19 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -90.59 -33.18 15.97 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.738 0.304 . . . . 0.0 110.59 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . 0.415 ' HZ1' ' C ' ' Q' ' 89' ' ' ALA . 33.1 mttm -76.02 -43.84 42.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.2 -38.78 71.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -70.43 -48.8 54.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.102 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.4 92.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.28 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.21 -59.69 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.714 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.732 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.4 mt -55.16 -39.92 70.06 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.453 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -30.12 61.65 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.986 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.6 t -92.35 -42.97 13.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.33 -25.23 67.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.661 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -69.79 -24.55 63.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.296 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -85.09 -9.29 58.09 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.079 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.2 117.27 11.54 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.539 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -63.47 151.67 87.22 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.66 -178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -31.84 -49.26 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 123.403 2.736 . . . . 0.0 114.214 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -70.06 -29.48 66.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' Q' ' 16' ' ' THR . 48.8 mt-10 -78.06 -36.42 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.57 -49.58 76.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.829 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.67 -41.84 95.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.208 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -49.97 -57.2 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.147 0.498 . . . . 0.0 110.268 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.405 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 24.0 mtpp -56.55 -37.77 70.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.908 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -76.04 -41.38 51.02 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -63.69 -9.7 15.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.255 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' Q' ' 27' ' ' LEU . 0.9 OUTLIER -70.92 -36.61 72.75 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.229 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.2 25.67 23.06 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.222 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -121.04 -55.01 2.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.828 0.347 . . . . 0.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . 0.532 ' O ' HG13 ' Q' ' 30' ' ' VAL . 7.7 p -61.64 122.62 72.42 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . 0.463 ' C ' HD22 ' Q' ' 32' ' ' LEU . 84.9 Cg_exo -42.79 147.46 0.62 Allowed 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 122.104 1.869 . . . . 0.0 113.356 -179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.463 HD22 ' C ' ' Q' ' 31' ' ' PRO . 4.5 mm? -117.03 142.98 46.28 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.555 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 2.6 mpt_? -66.21 -175.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -80.84 100.4 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.013 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.07 -10.15 0.75 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 157.71 43.27 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.183 0.516 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -133.92 -177.29 4.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.715 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.52 145.03 56.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.84 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.738 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.5 mm -81.71 128.98 67.15 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.46 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . 0.421 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 30.0 Cg_exo -36.62 112.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.159 1.906 . . . . 0.0 112.179 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -64.72 -17.94 64.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.776 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.18 -26.2 19.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.316 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.52 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -83.7 -16.24 45.69 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 122.609 -0.348 . . . . 0.0 111.702 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.738 HD21 HG21 ' Q' ' 39' ' ' ILE . 76.6 mt -65.62 2.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.969 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -70.07 -120.85 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.528 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -42.9 -1.01 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 90.3 mt -76.41 115.51 16.22 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.041 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 18.7 m-20 -83.05 166.95 18.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.189 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.732 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.62 -17.73 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.355 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 18.2 t -75.12 -65.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.102 0.477 . . . . 0.0 110.16 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.772 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.2 OUTLIER -64.45 -35.72 81.85 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.529 ' N ' HD13 ' Q' ' 52' ' ' LEU . 50.9 m -71.79 -46.07 59.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.99 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 47.3 t0 -57.84 -44.13 86.29 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.006 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -55.28 -56.47 19.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.072 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.13 -47.86 72.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.316 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 41.3 t -59.89 -37.38 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.02 -42.94 65.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 30.8 t -79.8 -37.12 35.89 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.541 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 65.8 m-85 -104.14 -3.91 23.83 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.215 -0.303 . . . . 0.0 111.56 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.57 150.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -56.17 -38.93 71.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.433 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.02 -51.08 17.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -78.43 -26.7 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.933 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.64 -58.56 8.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.124 -1.03 . . . . 0.0 108.831 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.87 -43.12 8.57 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.726 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.07 -40.91 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.517 ' O ' HD23 ' Q' ' 68' ' ' LEU . 1.3 tt -67.65 -50.45 57.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.721 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -57.09 -49.0 80.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.536 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 10.0 t -51.11 -64.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.988 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.21 -29.87 15.53 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.481 HG23 ' O ' ' Q' ' 68' ' ' LEU . 79.3 t -68.3 -51.83 43.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.619 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.35 -40.47 86.53 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.503 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -55.57 -40.63 72.21 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.29 -28.8 69.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.827 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 32.8 mtt -84.84 23.73 1.15 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 55.49 33.39 20.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.556 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.0 mmt -113.89 68.4 0.69 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.16 -38.97 72.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.207 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -64.3 -47.36 79.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.043 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -59.67 -55.35 35.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.207 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.536 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.59 -32.72 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.439 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.4 77.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 73.4 mmt-85 -67.06 -30.2 70.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -69.33 -51.46 36.76 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . 0.442 ' C ' ' H ' ' Q' ' 88' ' ' ALA . 5.5 tm0? -54.81 -11.59 0.64 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.773 0.32 . . . . 0.0 110.705 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -80.55 21.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' Q' ' 86' ' ' GLN . . . -162.34 109.76 1.32 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.316 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . 0.415 ' C ' ' HZ1' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.46 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.16 115.33 0.16 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.8 m -89.95 -37.69 14.18 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . 0.46 ' NZ ' ' C ' ' Q' ' 89' ' ' ALA . 41.1 mttp -74.71 -45.87 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -55.62 -30.36 60.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.98 -47.46 20.72 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.838 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.64 90.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.53 -63.97 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.614 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.736 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.5 mt -53.13 -36.69 61.06 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.808 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -54.47 -38.98 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.513 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -35.95 9.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.872 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.73 -37.93 86.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.978 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -64.03 -21.11 66.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.737 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -85.78 -10.61 55.23 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.29 117.0 13.39 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.536 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 12.4 p -62.99 149.0 91.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.395 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -33.71 -36.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 122.997 2.465 . . . . 0.0 113.601 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.86 -36.78 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.681 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' Q' ' 16' ' ' THR . 40.4 mt-10 -74.98 -35.68 62.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.241 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.7 tp -60.91 -42.28 97.75 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -61.92 -51.31 68.67 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.843 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -41.16 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.64 -53.55 18.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.125 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.409 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 78.7 mttt -56.65 -40.02 74.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.174 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -45.97 50.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.689 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 31.9 mmtm -65.28 -8.69 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.715 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -71.5 -28.93 64.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 109.394 178.109 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.04 34.16 5.11 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.343 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 45.5 p -121.49 -44.32 2.36 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . 0.417 HG23 ' H ' ' Q' ' 30' ' ' VAL . 16.9 t -57.08 136.14 80.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . 0.455 ' O ' HD12 ' Q' ' 32' ' ' LEU . 20.9 Cg_endo -59.7 150.69 75.27 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.171 1.247 . . . . 0.0 112.026 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.455 HD12 ' O ' ' Q' ' 31' ' ' PRO . 6.3 mp -116.55 122.01 43.44 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.65 175.94 3.24 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.271 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -72.28 98.98 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.57 -20.36 1.03 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -109.91 137.02 48.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.281 0.562 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 16.9 mp0 -99.54 175.57 5.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.718 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.9 -179.72 0.22 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.762 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.428 HG21 HD21 ' Q' ' 44' ' ' LEU . 33.0 mm -106.15 103.43 45.04 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' Q' ' 39' ' ' ILE . 46.7 Cg_exo -39.51 111.79 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 121.489 1.459 . . . . 0.0 111.364 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -59.99 -27.9 67.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.028 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.85 -22.47 61.47 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.007 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -83.69 -14.99 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.9 0.35 . . . . 0.0 111.856 -179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' Q' ' 46' ' ' GLN . 73.7 mt -70.18 -50.61 38.41 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.692 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.05 19.78 3.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' Q' ' 44' ' ' LEU . 21.8 tp60 -126.92 -41.58 1.8 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.848 0.356 . . . . 0.0 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.412 HD11 ' HB1' ' Q' ' 43' ' ' ALA . 14.9 mt -80.86 126.38 31.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.73 169.86 16.44 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.736 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.44 -24.6 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.45 -179.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 t -74.88 -62.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.095 0.474 . . . . 0.0 109.932 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.55 -29.46 67.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.775 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.4 OUTLIER -64.9 -36.11 83.31 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.425 ' N ' HD13 ' Q' ' 52' ' ' LEU . 49.4 m -69.95 -45.26 67.82 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.91 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 76.7 m-20 -57.6 -43.17 84.49 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.503 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -56.96 -55.46 34.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.295 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -48.29 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.003 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.48 -37.35 77.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.0 -41.71 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 59.5 p -80.22 -38.62 30.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.728 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.54 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 80.9 m-85 -106.81 -2.88 20.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.557 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.33 153.34 0.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.7 -35.54 70.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.146 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.04 -51.82 14.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.56 -28.35 51.76 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.588 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.94 -58.81 6.78 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.406 -0.918 . . . . 0.0 108.812 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.412 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.67 -44.03 8.77 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.92 -40.75 98.56 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.631 ' O ' HG23 ' Q' ' 72' ' ' VAL . 1.6 tt -67.31 -49.13 65.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.586 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 83.2 t -56.85 -49.63 78.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.46 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 25.0 t -50.67 -62.45 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.807 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.46 -28.5 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.631 HG23 ' O ' ' Q' ' 68' ' ' LEU . 87.9 t -68.74 -52.16 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.799 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.654 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 42.8 mt -55.89 -43.71 77.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.91 -41.06 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.214 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.499 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.41 27.97 0.57 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 59.14 33.76 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.576 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -122.12 67.66 0.93 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.54 -24.23 62.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.982 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' Q' ' 80' ' ' GLU . 5.5 mp0 -81.35 -48.31 12.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.404 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -58.15 -55.33 36.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.394 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -52.66 -29.01 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.784 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.28 -38.52 83.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -65.62 -31.33 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.739 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.479 ' N ' HD22 ' Q' ' 85' ' ' LEU . 3.8 mm? -72.84 -48.23 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -56.93 -12.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -90.36 8.82 31.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -93.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.631 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . 0.46 ' C ' ' NZ ' ' Q' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' Q' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.33 47.95 0.32 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -91.06 -35.86 14.37 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -74.2 -45.3 49.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -54.56 -42.59 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.22 -47.69 78.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.071 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.68 94.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.147 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.23 -58.16 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.695 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.2 mt -54.95 -34.44 63.26 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.647 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -57.77 -39.92 78.58 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.848 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 m -86.24 -38.01 12.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.12 -35.71 77.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.201 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -65.57 -22.78 66.72 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.212 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -85.24 -8.91 58.32 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 120.899 0.38 . . . . 0.0 110.217 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.16 119.37 14.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.541 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 1.2 p -63.86 150.9 90.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.136 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -31.7 -48.58 0.27 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 123.212 2.608 . . . . 0.0 114.42 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -71.08 -29.22 65.02 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.785 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' Q' ' 16' ' ' THR . 93.8 mt-10 -77.87 -35.3 51.08 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.13 -50.19 71.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.07 -48.0 83.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.505 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -41.72 90.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.788 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 91.4 t80 -49.23 -49.79 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 110.272 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.77 -44.97 74.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.262 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 50.3 mtp -76.23 -41.9 47.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -63.04 -11.12 17.2 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.928 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.3 mt -72.87 -27.75 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.6 30.96 6.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -123.96 -46.14 1.98 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . 0.459 ' O ' HD22 ' Q' ' 32' ' ' LEU . 57.8 t -55.75 116.64 12.63 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.557 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -42.67 148.27 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.868 1.712 . . . . 0.0 112.012 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' NH2' ' Q' ' 38' ' ' ARG . 2.4 mm? -124.22 130.43 52.51 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.489 ' HD2' ' H ' ' Q' ' 33' ' ' ARG . 2.3 mpt_? -69.31 -175.36 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.703 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.9 98.84 4.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.29 -21.52 0.29 Allowed Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.555 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -123.91 149.53 45.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.334 0.588 . . . . 0.0 110.788 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -115.58 -177.42 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.67 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' Q' ' 32' ' ' LEU . 4.5 tpm_? -65.14 160.91 20.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.472 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.875 HG21 HD21 ' Q' ' 44' ' ' LEU . 33.6 mm -87.42 119.55 70.84 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.617 -0.23 . . . . 0.0 110.493 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -40.32 117.68 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.853 1.702 . . . . 0.0 111.956 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -60.67 -22.93 64.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.294 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.92 -23.59 48.77 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.237 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.07 -7.17 59.22 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.894 0.347 . . . . 0.0 111.685 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.875 HD21 HG21 ' Q' ' 39' ' ' ILE . 96.4 mt -80.82 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.988 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.29 26.88 2.88 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -127.74 -42.6 1.6 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.11 0.481 . . . . 0.0 111.099 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.581 HD12 ' N ' ' Q' ' 47' ' ' LEU . 7.0 mp -84.98 137.66 32.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.54 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 3.9 m-20 -82.6 170.12 15.53 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.695 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.87 -20.92 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.157 -179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 5.1 t -74.69 -64.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.77 -27.59 64.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.787 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.3 OUTLIER -64.83 -36.73 85.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.437 ' N ' HD13 ' Q' ' 52' ' ' LEU . 53.5 m -71.55 -46.98 57.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.229 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 15.1 t70 -57.69 -40.84 80.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.326 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -57.57 -54.77 43.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.259 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.19 -48.46 73.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.28 0.562 . . . . 0.0 110.037 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.86 -37.84 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.083 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.29 -42.55 68.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -81.1 -36.43 30.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.552 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 46.9 m-85 -106.49 -4.72 19.47 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.552 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 79.14 150.0 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 -179.4 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -55.12 -40.48 70.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.664 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.71 -50.59 20.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.44 -28.79 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.977 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.09 -58.04 10.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.295 -0.962 . . . . 0.0 108.847 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.68 -44.68 9.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.674 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.04 -39.69 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.51 -47.94 68.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.407 178.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 90.8 t -61.07 -47.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.375 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.611 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 4.6 t -51.97 -62.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.46 13.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.476 HG23 ' O ' ' Q' ' 68' ' ' LEU . 76.9 t -69.91 -52.11 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.244 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.473 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 38.9 mt -56.4 -44.05 79.89 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.794 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -54.4 -39.42 67.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.135 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -67.35 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.494 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 66.1 mmm -83.35 27.3 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 56.88 30.7 18.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.1 mmt -118.29 68.93 0.78 Allowed 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . 0.507 HD12 ' N ' ' Q' ' 79' ' ' LEU . 11.0 mp -71.4 -44.96 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.603 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 53.7 mt-10 -59.66 -43.79 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 111.294 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.59 -57.54 12.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.924 0.392 . . . . 0.0 110.964 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -55.27 -31.03 61.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.117 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -61.07 -38.88 87.79 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mmt-85 -65.86 -28.31 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.764 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.81 -45.03 72.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -55.41 -11.11 0.74 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.513 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -81.11 22.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.977 0.417 . . . . 0.0 110.319 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -158.34 90.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.183 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.527 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 49.5 mtm . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.45 57.84 0.66 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m -90.78 -37.29 13.74 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -76.28 -45.59 31.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -58.01 -25.07 60.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.49 -48.22 10.53 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.28 80.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.1 -60.65 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.781 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.33 -40.97 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.675 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -54.8 -29.55 54.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.51 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -93.37 -42.17 12.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.54 -29.68 70.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.873 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.9 -21.48 64.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.541 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . 0.433 ' ND2' ' N ' ' Q' ' 14' ' ' ASN . 2.3 m120 -85.13 -9.83 57.44 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.54 117.91 11.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' Q' ' 19' ' ' GLU . 2.4 p -65.56 150.92 95.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -31.7 -41.58 0.11 Allowed 'Trans proline' 0 N--CA 1.489 1.238 0 C-N-CA 123.22 2.614 . . . . 0.0 113.695 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.89 -55.17 9.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.881 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 0.3 OUTLIER -60.27 -27.54 67.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.979 -178.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.11 -43.22 99.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -62.89 -51.14 68.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.853 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -64.79 -39.59 93.85 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.701 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 88.9 t80 -49.45 -52.75 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.399 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -55.77 -45.2 78.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.543 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -75.75 -44.28 42.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.046 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' Q' ' 29' ' ' THR . 41.1 mmtt -62.52 -10.55 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.865 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.61 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 5.8 mt -74.82 -25.75 59.23 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 32.13 6.09 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.421 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' Q' ' 26' ' ' LYS . 18.1 p -126.35 -42.35 1.84 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.64 117.07 16.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.234 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.82 145.41 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.75 1.634 . . . . 0.0 112.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.433 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.1 mm? -117.35 135.72 53.66 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' Q' ' 35' ' ' GLY . 42.7 mtp180 -66.7 173.09 3.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.023 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.07 13.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.526 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' Q' ' 33' ' ' ARG . . . -119.31 -13.85 6.17 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 4.4 m-85 -132.62 160.25 37.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.285 0.564 . . . . 0.0 111.143 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -135.67 -177.11 4.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.624 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . 0.7 ' NH1' ' H ' ' Q' ' 41' ' ' ARG . 0.0 OUTLIER -64.09 154.22 35.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.904 -179.463 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.787 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.4 mm -82.13 127.01 73.23 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -38.25 118.52 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.117 1.878 . . . . 0.0 111.744 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . 0.7 ' H ' ' NH1' ' Q' ' 38' ' ' ARG . 31.2 ptt85 -65.0 -27.43 68.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . 0.424 ' O ' ' OE1' ' Q' ' 46' ' ' GLN . . . -82.88 -24.85 51.68 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.429 -178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -83.66 -8.98 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.008 0.404 . . . . 0.0 111.737 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.787 HD21 HG21 ' Q' ' 39' ' ' ILE . 77.2 mt -73.26 -46.43 50.03 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.289 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.485 ' O ' ' NE2' ' Q' ' 46' ' ' GLN . . . -86.28 24.51 8.14 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' Q' ' 45' ' ' GLY . 5.7 mp0 -127.44 -43.91 1.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.775 0.321 . . . . 0.0 111.252 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' Q' ' 51' ' ' ASP . 11.5 mt -83.45 134.7 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.076 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.81 170.83 14.59 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -25.21 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.618 -179.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -73.18 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.037 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' Q' ' 47' ' ' LEU . 23.5 m-20 -70.86 -29.6 65.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.019 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.77 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.1 OUTLIER -65.52 -36.21 83.14 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 177.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.556 ' N ' HD13 ' Q' ' 52' ' ' LEU . 23.5 m -69.4 -48.69 60.3 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.96 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 11.1 t0 -54.94 -40.47 69.98 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.007 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -59.15 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.882 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.33 -51.54 59.92 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.466 0.651 . . . . 0.0 109.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -62.33 -36.07 72.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.136 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -69.67 -44.04 71.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.714 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 39.4 m -80.89 -39.15 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.53 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 86.9 m-85 -105.29 -4.34 21.73 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 76.77 151.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -54.98 -38.09 67.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.079 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . 0.411 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 31.8 t70 -74.67 -51.82 13.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -176.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -78.33 -27.55 47.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.779 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.76 -58.4 8.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.634 178.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.84 -44.03 9.21 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.68 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' Q' ' 67' ' ' GLU . 0.3 OUTLIER -62.32 -39.77 94.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.234 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -67.93 -51.15 51.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.616 178.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 86.7 t -60.8 -48.91 86.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.646 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.512 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 11.1 t -50.05 -62.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.379 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.15 -28.34 25.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.447 HG23 ' O ' ' Q' ' 68' ' ' LEU . 52.9 t -70.08 -52.13 33.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.698 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 30.5 mt -56.26 -44.55 79.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -55.76 -38.13 69.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 0.0 110.01 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.6 -29.09 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 89.9 mmm -85.18 21.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.228 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 62.05 35.27 16.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.881 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 9.9 mmt -114.8 67.42 0.69 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . 0.573 HD12 ' N ' ' Q' ' 79' ' ' LEU . 9.6 mp -71.28 -31.51 67.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.348 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.52 -48.2 28.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.262 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -58.74 -57.12 14.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.41 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.512 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -56.28 -31.36 63.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.92 77.35 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.528 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -66.15 -28.38 68.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.837 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.26 -50.93 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.8 -19.16 38.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.755 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -87.0 -10.48 53.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.47 55.76 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.182 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.512 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.28 14.45 24.15 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 18.1 m -89.59 -31.73 17.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.689 0.281 . . . . 0.0 110.366 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -75.2 -41.29 58.15 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -54.64 -48.22 72.53 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.07 -50.3 73.19 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.045 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 47.7 mt -63.17 -59.04 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.688 HD21 ' O ' ' Q' ' 49' ' ' ILE . 12.1 mt -55.89 -39.91 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.927 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.259 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -90.64 -42.08 13.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.86 -25.9 67.81 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 119.325 -0.95 . . . . 0.0 109.179 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -68.7 -24.32 64.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.206 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -81.42 -10.34 59.54 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.52 119.56 14.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.535 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 5.0 p -64.56 151.53 91.63 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -32.75 -49.88 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.974 2.449 . . . . 0.0 112.929 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -69.68 -35.96 75.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.469 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' Q' ' 16' ' ' THR . 21.2 mt-10 -71.7 -29.46 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -60.42 -43.33 96.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -60.83 -49.81 75.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.171 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -59.58 -39.64 84.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.724 -0.791 . . . . 0.0 109.423 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.517 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 51.0 t80 -49.72 -53.83 22.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 110.692 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' Q' ' 44' ' ' LEU . 13.4 mtmt -57.18 -47.47 81.16 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.288 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.61 -43.97 45.32 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.399 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -59.73 -8.87 2.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.608 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -69.53 -34.18 73.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.399 0.619 . . . . 0.0 109.513 177.433 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.37 26.62 3.41 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.517 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 53.5 p -123.75 -44.86 2.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.07 115.68 12.94 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.375 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.45 144.4 1.23 Allowed 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.879 1.719 . . . . 0.0 112.137 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -118.49 129.39 55.35 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -69.08 169.23 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.392 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' Q' ' 34' ' ' GLU . 30.6 mp0 -63.32 97.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.576 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.21 -34.66 1.0 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -108.02 147.84 30.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.282 0.563 . . . . 0.0 110.127 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -134.07 -177.12 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.729 -178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.43 160.06 20.0 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.577 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mm -80.84 126.88 76.7 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.14 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -38.8 123.87 0.83 Allowed 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.947 1.765 . . . . 0.0 112.054 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -47.86 -26.85 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.736 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.13 -9.99 64.85 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.93 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.476 ' O ' HD12 ' Q' ' 47' ' ' LEU . . . -85.21 -17.16 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 111.241 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.52 ' O ' ' NZ ' ' Q' ' 24' ' ' LYS . 10.9 mt -76.17 -5.44 46.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.542 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.568 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -84.01 -124.37 1.09 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.756 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -41.08 -3.04 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 16.9 mt -81.32 112.89 19.03 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.038 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.451 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 68.7 m-20 -82.27 170.48 15.34 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.632 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.688 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -48.88 -17.36 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.53 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 3.8 t -77.31 -65.0 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -68.34 -33.49 74.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.82 -32.07 73.6 Favored 'General case' 0 C--O 1.225 -0.19 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 17.5 m -75.78 -43.78 44.74 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 7.2 m-20 -60.5 -44.41 96.02 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . 0.444 ' HZ3' ' CD1' ' Q' ' 47' ' ' LEU . 3.1 tppm? -58.67 -52.64 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.231 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 mt -64.6 -47.24 79.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.062 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.01 -33.36 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -71.05 -45.03 64.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.091 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 14.5 m -80.21 -35.62 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.526 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 88.2 m-85 -105.22 -4.74 21.34 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.3 OUTLIER 74.74 153.76 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.79 -35.9 66.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . 0.428 ' O ' ' OE2' ' Q' ' 67' ' ' GLU . 39.9 t0 -75.65 -53.83 7.94 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.64 -28.77 61.96 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.914 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.66 -59.0 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.975 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.419 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -43.05 -41.62 3.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.971 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' Q' ' 67' ' ' GLU . 0.4 OUTLIER -64.22 -40.69 96.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.433 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 20.0 tp -67.83 -48.89 64.94 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.0 -50.71 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.916 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.556 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 24.9 t -50.61 -65.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.929 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -30.87 4.86 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 70.5 t -67.55 -53.46 31.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.598 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 40.0 mt -55.65 -35.39 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . 0.571 ' O ' ' O ' ' Q' ' 76' ' ' MET . 77.9 mtt180 -64.06 -36.29 83.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' Q' ' 74' ' ' ARG . 9.6 t70 -37.2 -32.08 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.669 0.747 . . . . 0.0 109.328 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 7.7 mmt -86.21 -132.53 0.06 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 175.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -137.97 66.04 1.46 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . 0.496 ' SD ' ' OE1' ' Q' ' 81' ' ' GLU . 22.5 mmt -117.78 58.67 0.8 Allowed 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 113.452 -1.703 . . . . 0.0 109.274 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.95 -14.16 62.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.289 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 28.2 tt0 -98.12 -54.34 3.1 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.874 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . 0.496 ' OE1' ' SD ' ' Q' ' 78' ' ' MET . 8.7 mt-10 -57.99 -60.43 3.74 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -51.91 -23.99 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.353 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -66.95 -31.37 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -64.76 -28.94 69.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.2 -48.49 51.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.577 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -64.36 -25.29 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.376 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -86.08 -3.74 59.01 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.83 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.9 -78.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.84 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.511 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . 0.415 ' O ' ' O ' ' Q' ' 2' ' ' GLY . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' Q' ' 1' ' ' MET . . . 58.2 120.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 9.9 m -88.43 -35.51 17.03 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -75.95 -44.05 41.84 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -56.96 -21.9 33.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.67 -49.28 7.61 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.625 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.01 83.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 71.4 mt -62.7 -62.15 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.533 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -41.9 70.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.332 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -29.73 51.88 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.625 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . 0.646 HG21 HD21 ' Q' ' 85' ' ' LEU . 39.4 t -93.28 -42.53 13.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.74 -29.0 69.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.584 -0.846 . . . . 0.0 109.578 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -69.16 -24.95 64.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.905 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -83.55 -9.39 58.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.871 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.2 118.32 12.88 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.537 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 2.3 p -63.78 152.1 87.39 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.62 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -32.3 -48.83 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 123.032 2.488 . . . . 0.0 113.563 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.58 -33.99 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.588 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' Q' ' 16' ' ' THR . 37.1 mt-10 -77.37 -30.55 53.8 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.643 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.94 -50.48 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.763 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -65.58 -39.19 91.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -50.22 -46.16 54.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.453 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 52.1 mttm -58.69 -46.36 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.079 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 19.3 mtt -76.92 -45.64 27.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.686 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -65.12 -12.2 48.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.252 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.504 ' CD2' HD21 ' Q' ' 56' ' ' LEU . 14.5 tp -77.26 -36.62 54.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.4 37.31 3.46 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.118 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -126.69 -38.43 2.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.591 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.41 135.8 91.69 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.108 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . 0.614 ' C ' HD22 ' Q' ' 32' ' ' LEU . 54.8 Cg_endo -69.17 151.16 72.45 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 121.217 1.278 . . . . 0.0 109.912 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.614 HD22 ' C ' ' Q' ' 31' ' ' PRO . 4.4 mm? -115.38 149.06 38.55 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.392 0.615 . . . . 0.0 110.987 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.546 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 8.0 mpt_? -69.17 -168.81 0.16 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.826 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 66.5 mm-40 17.14 -98.51 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.009 0.818 . . . . 0.0 112.308 179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.25 85.92 0.12 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.528 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -99.83 155.09 17.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 6.4 mp0 -88.98 144.48 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 111.109 -178.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -60.34 -173.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.485 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.588 HG21 HD21 ' Q' ' 44' ' ' LEU . 8.0 mm -100.11 103.03 20.13 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -39.41 122.37 0.87 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.713 1.609 . . . . 0.0 111.762 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -57.46 -66.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.641 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.23 -23.02 0.4 Allowed Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.214 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.88 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -85.01 -13.8 49.42 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.05 0.425 . . . . 0.0 112.088 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.588 HD21 HG21 ' Q' ' 39' ' ' ILE . 34.2 mt -72.0 -5.03 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.835 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -67.57 -115.51 0.02 OUTLIER Glycine 0 CA--C 1.528 0.893 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.724 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -50.83 6.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.88 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.2 mp -79.49 102.98 9.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.39 0.541 . . . . 0.0 111.667 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' Q' ' 48' ' ' ASP . 1.7 m-20 -82.85 172.39 12.89 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.463 ' O ' ' OG1' ' Q' ' 53' ' ' THR . 0.0 OUTLIER -50.26 -19.64 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.081 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.03 -62.35 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.366 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.05 -32.76 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.93 -32.71 74.56 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' Q' ' 49' ' ' ILE . 4.9 m -74.43 -48.83 25.24 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.672 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 4.8 m-20 -59.54 -45.5 91.61 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.694 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -58.56 -39.52 80.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' Q' ' 27' ' ' LEU . 10.0 mt -67.56 -54.69 17.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.235 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.9 -32.24 57.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.591 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -50.26 39.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 58.3 m -79.85 -31.52 40.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.533 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 97.9 m-85 -107.17 -9.04 16.24 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.533 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.6 OUTLIER 82.57 148.3 0.08 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.069 0.461 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.87 -48.52 64.01 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.816 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.47 -49.53 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . 0.531 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 4.6 t80 -76.19 -28.68 57.37 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.997 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -57.54 -56.97 14.94 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 118.664 -1.215 . . . . 0.0 108.523 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.08 -44.32 10.23 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.895 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.76 -34.54 74.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.9 OUTLIER -71.28 -49.9 38.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.68 178.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 91.7 t -50.62 -48.66 26.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.735 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 41.8 t -50.59 -66.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.817 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.94 5.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' Q' ' 75' ' ' ASP . 85.5 t -65.83 -51.9 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.466 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 48.4 mt -53.75 -37.74 63.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' Q' ' 76' ' ' MET . 95.7 mtt180 -68.52 -15.41 63.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' Q' ' 72' ' ' VAL . 18.1 t0 -54.49 -32.9 58.83 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . 0.465 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 8.0 mmt -86.8 -134.48 0.07 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 104.056 -2.572 . . . . 0.0 104.056 174.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . 0.452 ' CZ ' ' O ' ' Q' ' 76' ' ' MET . 12.6 mmp_? -132.46 68.27 1.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 105.21 -2.145 . . . . 0.0 105.21 177.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 26.2 mmt -111.11 49.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 113.471 -1.695 . . . . 0.0 109.611 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.32 -22.56 66.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.354 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 35.9 tt0 -97.32 -55.26 2.89 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.92 -56.47 21.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.443 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -54.81 -20.64 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -65.94 -36.38 83.21 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -64.5 -30.3 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.264 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.646 HD21 HG21 ' Q' ' 11' ' ' VAL . 4.1 mm? -74.86 -45.0 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.151 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -68.39 -6.99 27.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -84.97 2.43 42.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.117 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -78.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.617 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.463 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.73 52.76 0.79 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -87.13 -38.11 16.75 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -76.27 -43.37 42.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.43 -43.8 75.69 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.86 -49.64 71.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.076 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.46 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.022 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.77 -58.64 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.688 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.694 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.4 mt -55.82 -40.78 73.28 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.456 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -56.62 -30.13 62.92 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.381 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -92.0 -42.53 13.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.33 -26.14 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.336 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -69.07 -25.2 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.568 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -82.46 -9.39 59.45 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -72.68 116.21 12.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.463 ' OG1' ' OE1' ' Q' ' 19' ' ' GLU . 0.2 OUTLIER -65.45 154.93 86.79 Favored Pre-proline 0 C--N 1.321 -0.671 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.22 -178.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -32.82 -43.19 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 123.716 2.944 . . . . 0.0 114.459 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -69.62 -43.04 73.52 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.02 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' Q' ' 19' ' ' GLU . 38.8 mp0 -71.14 -31.71 68.06 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.506 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -61.41 -45.85 92.59 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -63.9 -48.61 75.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -40.03 96.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.62 ' O ' HD13 ' Q' ' 27' ' ' LEU . 67.6 t80 -47.33 -48.2 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -58.1 -40.81 82.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.634 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 2.3 ttt -76.62 -48.01 20.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.897 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -62.75 -9.88 10.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.03 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.62 HD13 ' O ' ' Q' ' 23' ' ' PHE . 0.3 OUTLIER -75.76 -38.04 58.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.357 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.46 28.36 9.18 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 27.4 m -120.85 -50.18 2.18 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . 0.499 ' O ' HG13 ' Q' ' 30' ' ' VAL . 4.0 p -61.41 119.3 45.32 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -38.59 150.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.165 1.91 . . . . 0.0 113.075 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -119.9 134.38 55.26 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.586 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -68.55 165.72 18.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -64.7 103.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.39 -17.44 1.15 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' Q' ' 36' ' ' PHE . 1.3 m-85 -127.45 155.0 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -129.75 -177.57 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.853 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -65.17 168.82 6.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.819 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' Q' ' 39' ' ' ILE . 14.9 mm -82.53 116.31 63.08 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -38.57 126.45 1.04 Allowed 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.72 1.613 . . . . 0.0 111.974 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -51.39 -41.28 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.023 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.47 -18.58 77.11 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.57 -9.44 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.58 3.58 9.21 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.724 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -85.64 -129.0 2.17 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.56 -0.746 . . . . 0.0 113.26 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . 0.641 HE21 ' N ' ' Q' ' 46' ' ' GLN . 3.4 mm-40 -45.86 3.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 9.2 mp -74.4 104.99 5.35 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.867 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 26.4 m-20 -82.68 168.24 17.44 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.694 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.66 -18.67 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.78 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 30.1 t -76.03 -65.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -69.51 -31.9 70.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.762 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.405 ' O ' HD12 ' Q' ' 56' ' ' LEU . 18.5 tp -64.01 -34.16 77.37 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 15.6 m -72.05 -43.56 64.72 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 13.3 t70 -59.33 -46.69 87.92 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.748 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -57.91 -46.89 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.475 HD21 HD23 ' Q' ' 27' ' ' LEU . 11.1 mt -67.21 -51.21 56.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.352 0.596 . . . . 0.0 110.077 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.07 -35.69 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.531 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.52 -44.16 68.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.036 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 71.2 m -79.15 -38.31 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.504 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 92.6 m-85 -103.95 -0.88 28.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.158 -0.339 . . . . 0.0 111.77 -178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 73.52 150.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.72 -42.7 71.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -72.54 -51.12 21.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -78.35 -25.38 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.798 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -59.45 -57.24 13.85 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.137 -1.025 . . . . 0.0 108.568 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.74 -42.66 12.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.811 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.15 -42.09 98.92 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.587 ' O ' HG23 ' Q' ' 72' ' ' VAL . 4.9 tt -67.96 -51.45 47.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.997 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 88.5 t -56.15 -49.68 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.571 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 7.2 t -51.42 -61.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.59 -30.2 29.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.587 HG23 ' O ' ' Q' ' 68' ' ' LEU . 91.2 t -68.07 -51.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.016 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 59.1 mt -56.47 -42.83 78.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -57.26 -40.5 77.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.817 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.34 -27.32 67.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.718 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 65.5 mtp -85.29 22.97 1.37 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 60.54 32.89 20.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.239 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 15.5 mmt -120.58 70.93 0.9 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.61 -42.2 67.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.89 -48.48 78.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.539 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.2 -56.18 25.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.35 . . . . 0.0 111.057 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.571 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -57.66 -32.21 67.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.86 81.69 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 39.8 mmt-85 -66.52 -27.41 67.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.42 -45.17 69.8 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -56.55 -17.32 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.118 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -86.01 9.82 15.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.057 0.456 . . . . 0.0 110.249 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.53 -88.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.451 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.572 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.72 52.96 0.88 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 27.8 m -92.9 -37.26 12.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.078 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -76.26 -46.97 25.5 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -56.31 -29.12 60.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.02 -46.58 13.75 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.237 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.34 77.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.007 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.81 -57.18 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.136 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.98 -35.66 64.56 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.705 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -56.58 -40.21 74.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -87.7 -39.66 13.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.0 -35.27 74.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.703 -0.799 . . . . 0.0 109.798 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.76 -21.7 66.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.768 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -83.8 -10.22 58.23 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.66 119.59 15.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -63.49 152.12 86.28 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.698 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -32.23 -39.97 0.1 OUTLIER 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 123.093 2.529 . . . . 0.0 112.64 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.52 -54.67 9.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.651 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.49 -28.49 69.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.764 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.1 -44.47 97.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -65.02 -50.1 67.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.944 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -61.57 -38.59 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' Q' ' 27' ' ' LEU . 56.5 t80 -47.98 -49.42 30.74 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.218 0.533 . . . . 0.0 109.939 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.615 ' HB3' HD22 ' Q' ' 44' ' ' LEU . 81.2 mttt -56.48 -45.33 80.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.347 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 6.6 mmt -76.41 -48.76 18.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.584 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -60.73 -10.97 6.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' Q' ' 23' ' ' PHE . 7.4 mt -72.33 -25.16 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.611 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.13 28.17 11.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 80.7 p -120.22 -48.11 2.34 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 41.3 t -53.5 134.56 53.51 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.825 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.71 148.39 71.63 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.543 1.495 . . . . 0.0 111.22 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.472 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.5 mm? -113.29 134.51 54.57 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.331 0.586 . . . . 0.0 110.803 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' Q' ' 33' ' ' ARG . 2.0 mpt_? -68.46 176.28 2.95 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.645 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 37.2 mt-10 31.5 -95.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.343 0.402 . . . . 0.0 111.452 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' Q' ' 33' ' ' ARG . . . -167.78 88.61 0.1 OUTLIER Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.19 166.06 11.19 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.163 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -89.29 140.75 29.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.396 0.617 . . . . 0.0 111.386 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . 0.404 ' HG2' ' H ' ' Q' ' 38' ' ' ARG . 14.1 mmt180 -64.61 -146.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.809 HG21 HD21 ' Q' ' 44' ' ' LEU . 38.7 mm -133.02 99.0 15.29 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.888 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -37.24 123.02 0.42 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.305 2.003 . . . . 0.0 112.024 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.49 -21.61 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.049 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.19 -27.37 28.31 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.078 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' Q' ' 47' ' ' LEU . . . -81.74 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.697 0.284 . . . . 0.0 111.661 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.809 HD21 HG21 ' Q' ' 39' ' ' ILE . 72.6 mt -71.88 -46.13 58.91 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.689 -0.405 . . . . 0.0 111.186 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.67 19.99 8.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -127.91 -41.36 1.64 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.528 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.438 HD11 ' HB1' ' Q' ' 43' ' ' ALA . 16.1 mt -82.66 124.17 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -85.31 173.78 10.08 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -21.09 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 120.131 -0.627 . . . . 0.0 109.956 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.63 -65.01 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.178 0.513 . . . . 0.0 110.02 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -27.73 63.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -65.72 -34.53 78.42 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -72.38 -44.05 63.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.658 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.8 t70 -57.55 -45.46 85.09 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.325 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -56.79 -46.43 81.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.2 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.13 -52.01 32.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.436 0.636 . . . . 0.0 110.545 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -63.81 -36.94 78.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.883 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.02 -43.81 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 111.177 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -78.86 -36.84 41.69 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.55 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.1 m-85 -108.43 -1.23 20.04 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' Q' ' 61' ' ' TYR . 0.2 OUTLIER 75.62 152.5 0.13 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.748 -0.595 . . . . 0.0 109.823 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -55.76 -43.32 76.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' Q' ' 64' ' ' TYR . 3.2 p30 -74.32 -48.96 24.96 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' Q' ' 63' ' ' ASP . 1.8 t80 -74.31 -30.13 61.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -60.84 -57.59 12.01 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.653 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.549 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.09 -40.98 7.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.753 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 3.3 tt -66.53 -47.0 74.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.442 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 83.9 t -59.02 -50.0 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.984 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.549 HG23 ' O ' ' Q' ' 66' ' ' ALA . 48.6 t -50.68 -62.05 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.104 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.92 -32.1 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.425 HG23 ' O ' ' Q' ' 68' ' ' LEU . 54.2 t -65.82 -50.14 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.674 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 47.0 mt -57.18 -43.61 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -55.03 -40.23 70.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.224 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.83 -30.71 70.96 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 33.5 mtm -84.59 30.09 0.57 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.046 0.45 . . . . 0.0 110.628 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? 52.76 28.92 6.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.261 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 18.9 mmt -110.37 68.85 0.68 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.13 -40.12 75.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.403 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.4 -50.45 69.81 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -58.15 -56.29 23.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -58.03 -37.89 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.05 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.25 86.28 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -62.84 -29.18 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.636 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.9 tt -70.06 -43.22 71.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.116 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.93 -13.35 6.17 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -85.21 12.26 8.33 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.44 -82.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.646 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.356 179.715 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . 0.447 ' SD ' ' N ' ' Q' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.6 63.63 3.85 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -92.09 -39.69 11.47 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.686 0.279 . . . . 0.0 111.048 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -72.79 -45.52 58.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.33 -35.62 65.37 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.07 -45.64 48.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.993 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.22 94.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.124 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.0 -59.73 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.4 -35.61 63.05 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.574 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . 0.41 ' O ' ' OD1' ' Q' ' 14' ' ' ASN . 5.1 mptt -56.58 -39.6 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.9 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 m -87.72 -38.65 12.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.56 -37.2 82.95 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.558 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -63.52 -22.38 66.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' Q' ' 10' ' ' LYS . 2.2 m120 -83.08 -10.83 58.49 Favored 'General case' 0 CA--C 1.513 -0.461 0 C-N-CA 120.521 -0.471 . . . . 0.0 109.758 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 66.3 mt -71.59 118.0 13.86 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.83 155.01 90.81 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -30.86 -48.46 0.2 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 123.482 2.788 . . . . 0.0 113.846 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -49.17 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' Q' ' 19' ' ' GLU . 20.6 mp0 -67.45 -29.93 69.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.18 -52.65 64.41 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.73 -48.15 80.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.524 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -61.95 -38.9 90.23 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.062 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.559 ' CD1' HG11 ' Q' ' 72' ' ' VAL . 73.0 t80 -50.86 -46.44 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.213 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.508 ' NZ ' ' CB ' ' Q' ' 24' ' ' LYS . 5.1 mtmp? -58.96 -49.81 76.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.708 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mtp -69.93 -42.68 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.366 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -66.61 -7.91 23.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' Q' ' 27' ' ' LEU . 11.6 tp -72.83 -32.82 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.405 0.621 . . . . 0.0 110.04 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 38.47 3.11 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -129.29 -40.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.153 0.501 . . . . 0.0 109.857 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.52 114.81 9.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.356 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -46.86 148.54 3.83 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.649 1.566 . . . . 0.0 111.604 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.454 HD22 ' N ' ' Q' ' 32' ' ' LEU . 2.0 mm? -115.01 144.18 44.01 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.167 0.508 . . . . 0.0 111.007 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.498 ' O ' ' C ' ' Q' ' 34' ' ' GLU . 80.1 mtt180 -67.76 -173.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.12 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' Q' ' 33' ' ' ARG . 0.4 OUTLIER 14.67 -91.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.015 0.822 . . . . 0.0 112.263 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.97 81.82 0.12 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.642 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -97.72 161.4 13.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 7.2 mp0 -88.1 137.47 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.305 0.574 . . . . 0.0 110.662 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' Q' ' 38' ' ' ARG . 0.0 OUTLIER -60.8 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.471 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.8 111.97 57.67 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -40.13 126.43 1.93 Allowed 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.03 1.82 . . . . 0.0 112.202 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -47.9 -21.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.39 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.36 -3.5 57.58 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.18 -12.82 42.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.753 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.48 ' C ' ' NZ ' ' Q' ' 24' ' ' LYS . 12.1 mt -77.85 -73.87 0.29 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.43 29.15 3.27 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.353 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -127.57 -40.0 1.8 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.991 0.424 . . . . 0.0 112.071 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.6 131.44 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' Q' ' 48' ' ' ASP . 0.8 OUTLIER -81.23 169.48 17.27 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -22.89 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.979 -179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.22 -63.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.731 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.95 -29.86 69.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.754 HD13 ' C ' ' Q' ' 52' ' ' LEU . 0.9 OUTLIER -64.65 -34.99 79.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 44.3 m -73.3 -44.35 59.25 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.003 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 51.0 t0 -60.42 -40.45 91.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.318 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.48 -47.52 85.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.254 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.404 HD21 HD21 ' Q' ' 27' ' ' LEU . 16.7 mt -63.1 -50.1 71.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.584 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.45 -34.06 67.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.568 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -72.51 -42.89 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -82.67 -36.39 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.567 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 90.3 m-85 -110.66 -6.01 14.91 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.567 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.3 OUTLIER 80.38 153.18 0.12 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.944 -0.473 . . . . 0.0 109.938 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -54.3 -37.02 64.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.12 -51.81 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -78.16 -30.73 49.34 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.098 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -54.73 -60.67 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.168 -1.013 . . . . 0.0 108.999 178.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . . . . . . . . . . . -45.57 -44.45 12.85 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.22 -32.23 72.87 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.2 OUTLIER -70.54 -49.44 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.153 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.83 -41.93 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.681 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.707 HG13 ' HB1' ' Q' ' 82' ' ' ALA . 15.6 t -53.16 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.016 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.45 -30.41 2.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' Q' ' 23' ' ' PHE . 90.3 t -66.13 -52.6 46.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.625 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . . . . . . . . . 22.7 mt -57.15 -40.06 76.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' Q' ' 76' ' ' MET . 92.5 mtt180 -67.43 -15.33 63.62 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.959 178.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' Q' ' 72' ' ' VAL . 11.1 t70 -55.41 -33.31 63.41 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' Q' ' 74' ' ' ARG . 41.4 mmm -86.06 -136.42 0.07 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.71 68.25 1.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 17.9 mmt -120.21 66.59 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.586 -1.643 . . . . 0.0 109.774 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . 0.416 ' N ' HD12 ' Q' ' 79' ' ' LEU . 10.3 mp -72.32 -15.66 61.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.07 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 8.3 mm-40 -92.82 -53.59 4.1 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.102 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -56.91 -54.54 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.891 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.707 ' HB1' HG13 ' Q' ' 70' ' ' VAL . . . -53.52 -23.42 10.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -65.44 -37.99 88.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -63.56 -31.13 72.2 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.27 -48.41 65.11 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.64 -19.17 64.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -86.29 -7.72 58.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.037 0.446 . . . . 0.0 110.319 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.14 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.798 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.527 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tpt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.35 58.16 0.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -90.42 -35.33 15.23 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.405 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -74.64 -44.83 48.51 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -55.6 -40.76 72.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.57 -48.6 71.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.93 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.88 91.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.27 -59.42 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.066 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.727 HD21 ' O ' ' Q' ' 49' ' ' ILE . 10.8 mt -55.93 -40.11 72.65 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -55.15 -31.06 61.04 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.036 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.52 -41.95 13.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.03 -25.18 67.51 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.697 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.2 -22.89 63.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -84.98 -8.91 58.54 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.25 118.72 12.49 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.515 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 9.2 p -65.96 150.58 96.42 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.906 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -31.86 -49.45 0.29 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 123.541 2.827 . . . . 0.0 114.264 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -70.82 -31.16 67.81 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.652 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' Q' ' 16' ' ' THR . 54.9 mt-10 -77.81 -33.42 52.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . 0.63 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 48.9 tp -61.38 -49.34 77.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -60.93 -51.86 67.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.163 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -63.1 -40.81 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.322 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . 0.54 ' O ' HD13 ' Q' ' 27' ' ' LEU . 85.9 t80 -50.67 -60.38 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.63 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 41.7 mttp -48.19 -37.8 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 54.5 mmm -78.49 -41.21 33.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.957 0.408 . . . . 0.0 110.973 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -63.45 -9.26 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.185 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.777 HD21 HD11 ' Q' ' 56' ' ' LEU . 6.7 mp -67.14 -26.82 66.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.29 32.63 6.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -120.08 -51.79 2.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 110.222 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' Q' ' 32' ' ' LEU . 2.9 t -57.08 127.76 76.51 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.118 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . 0.475 ' C ' HD12 ' Q' ' 32' ' ' LEU . 89.4 Cg_exo -43.06 147.97 0.62 Allowed 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.936 1.757 . . . . 0.0 112.76 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . 0.475 HD12 ' C ' ' Q' ' 31' ' ' PRO . 9.5 mp -123.3 117.02 24.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . 0.517 ' NE ' ' OH ' ' Q' ' 64' ' ' TYR . 2.0 mpt_? -66.82 -177.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.335 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . 0.578 ' CD ' ' H ' ' Q' ' 34' ' ' GLU . 1.7 mp0 -66.23 127.19 31.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.93 -27.28 8.33 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -107.27 138.89 42.63 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' Q' ' 37' ' ' GLU . 9.7 mp0 -122.28 174.01 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 149.76 46.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.357 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.508 ' CD1' HD23 ' Q' ' 27' ' ' LEU . 10.3 mt -83.96 129.17 59.96 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . 0.442 ' HB2' ' HB3' ' Q' ' 43' ' ' ALA . 23.8 Cg_exo -37.62 116.16 0.19 Allowed 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.171 1.914 . . . . 0.0 112.287 178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . 0.457 ' H ' ' HD3' ' Q' ' 41' ' ' ARG . 0.7 OUTLIER -70.49 -17.02 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.931 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.4 -27.75 14.57 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.389 -0.434 . . . . 0.0 112.263 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' Q' ' 45' ' ' GLY . . . -81.72 -19.01 42.35 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.864 0.332 . . . . 0.0 111.323 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.442 HD21 HG21 ' Q' ' 39' ' ' ILE . 57.5 mt -66.27 4.21 0.76 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.191 -0.603 . . . . 0.0 109.871 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' Q' ' 47' ' ' LEU . . . -66.21 -124.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.829 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' Q' ' 46' ' ' GLN . 15.4 mt-30 -47.55 6.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' Q' ' 45' ' ' GLY . 91.6 mt -77.17 118.95 20.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 119.095 0.861 . . . . 0.0 110.575 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 15.2 m-20 -81.79 164.56 21.59 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.727 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -47.64 -18.57 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.279 -179.506 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 7.1 t -75.25 -63.32 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -70.25 -31.85 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.948 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . 0.763 HD22 ' O ' ' Q' ' 52' ' ' LEU . 0.0 OUTLIER -64.56 -33.71 76.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . 0.667 ' N ' HD13 ' Q' ' 52' ' ' LEU . 16.8 m -70.72 -47.12 61.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 10.0 t70 -54.34 -42.2 69.97 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.094 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -58.32 -42.06 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.825 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.777 HD11 HD21 ' Q' ' 27' ' ' LEU . 11.1 mt -68.42 -54.4 17.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.437 0.637 . . . . 0.0 110.098 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.45 -33.11 61.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.647 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.89 -48.88 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.947 0.403 . . . . 0.0 111.589 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 46.4 m -78.59 -35.45 45.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.546 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 93.1 m-85 -107.62 -6.29 17.01 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.546 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.73 151.74 0.12 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -54.43 -40.42 68.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -73.0 -50.24 24.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . 0.517 ' OH ' ' NE ' ' Q' ' 33' ' ' ARG . 5.3 t80 -79.24 -28.35 42.43 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.544 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -58.26 -62.24 1.98 Allowed 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.038 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.606 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -44.44 -44.81 8.73 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.4 OUTLIER -67.96 -53.37 26.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.431 178.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . 0.48 HG22 HD13 ' Q' ' 56' ' ' LEU . 48.2 t -59.64 -48.54 87.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.606 HG23 ' O ' ' Q' ' 66' ' ' ALA . 30.7 t -49.14 -62.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.311 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . 0.428 ' O ' ' OD2' ' Q' ' 75' ' ' ASP . . . -53.89 -28.77 38.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.438 HG23 ' O ' ' Q' ' 68' ' ' LEU . 69.3 t -68.13 -51.48 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 32.0 mt -58.36 -43.82 88.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.094 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -55.68 -40.03 71.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.358 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Q' ' 71' ' ' ALA . 14.0 m-20 -67.03 -27.59 67.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.551 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 74.4 mtp -84.52 28.68 0.64 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 56.14 28.42 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.399 . . . . 0.0 110.395 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' Q' ' 81' ' ' GLU . 11.6 mmt -116.95 69.07 0.75 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . 0.493 HD12 ' N ' ' Q' ' 79' ' ' LEU . 10.6 mp -71.48 -42.78 67.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.569 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . 0.639 ' O ' ' HB3' ' Q' ' 83' ' ' ALA . 8.1 tp10 -62.59 -49.64 74.45 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . 0.503 ' H ' ' CD ' ' Q' ' 81' ' ' GLU . 54.5 mp0 -58.78 -54.4 47.48 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.134 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -52.85 -31.7 40.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' Q' ' 80' ' ' GLU . . . -60.19 -47.13 87.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.404 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -63.74 -31.05 72.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.533 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.3 tt -69.57 -52.72 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.616 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -8.46 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.528 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 46.8 ttt180 -85.34 -4.83 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.82 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.64 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.389 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 1' ' ' MET . . . . . 0.445 ' O ' ' O ' ' Q' ' 2' ' ' GLY . 49.5 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 2' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' Q' ' 1' ' ' MET . . . 22.2 103.97 0.0 OUTLIER Glycine 0 N--CA 1.472 1.081 0 O-C-N 124.019 0.825 . . . . 0.0 112.836 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -87.22 -38.2 16.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 4' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' Q' ' 63' ' ' ASP . 73.3 mttt -75.88 -43.84 43.49 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.38 -32.61 66.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 6' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.91 -49.62 28.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.781 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.48 82.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.091 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 8' ' ' ILE . . . . . . . . . . . . . 48.6 mt -64.82 -60.02 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 9' ' ' LEU . . . . . 0.654 HD21 ' O ' ' Q' ' 49' ' ' ILE . 11.7 mt -56.03 -39.87 72.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.415 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.09 -32.05 63.79 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.367 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 11' ' ' VAL . . . . . . . . . . . . . 79.3 t -90.55 -41.0 13.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 12' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.04 -26.82 69.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.158 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 13' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -69.49 -24.07 63.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.656 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 14' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -84.34 -8.6 58.95 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.086 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.93 118.55 14.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 16' ' ' THR . . . . . 0.533 ' O ' ' N ' ' Q' ' 19' ' ' GLU . 41.6 p -64.45 148.03 96.75 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.589 -178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 17' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -35.11 -38.54 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.215 0 C-N-CA 122.532 2.154 . . . . 0.0 112.883 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.19 -40.62 64.62 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.204 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 19' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' Q' ' 16' ' ' THR . 57.9 mt-10 -70.57 -29.18 65.55 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 20' ' ' LEU . . . . . 0.575 HD11 ' NZ ' ' Q' ' 24' ' ' LYS . 30.6 tp -62.25 -38.11 88.03 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -64.05 -50.87 66.71 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.296 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -63.98 -40.25 95.97 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.414 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 23' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -47.59 -49.42 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.185 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 24' ' ' LYS . . . . . 0.575 ' NZ ' HD11 ' Q' ' 20' ' ' LEU . 35.2 mttp -59.82 -49.25 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.85 -45.88 69.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.186 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 26' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -65.63 -8.2 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.144 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 27' ' ' LEU . . . . . 0.559 HD13 ' O ' ' Q' ' 27' ' ' LEU . 0.2 OUTLIER -72.56 -33.94 67.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.643 0.735 . . . . 0.0 109.305 177.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Q' Q ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 35.39 4.03 Favored Glycine 0 CA--C 1.522 0.518 0 CA-C-N 114.827 -1.078 . . . . 0.0 110.941 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -123.81 -42.33 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.56 118.7 33.56 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.837 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -42.9 144.95 1.26 Allowed 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.894 1.73 . . . . 0.0 112.025 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -119.6 128.05 53.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.78 170.64 12.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 34' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.3 107.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.466 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.17 -37.39 1.77 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.65 147.76 31.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.204 0.526 . . . . 0.0 109.645 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 37' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -131.2 -176.74 4.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.218 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -61.29 159.05 13.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.687 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.652 HG21 HD21 ' Q' ' 44' ' ' LEU . 2.9 mm -82.29 124.79 77.97 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.197 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -39.96 128.01 2.01 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.29 1.993 . . . . 0.0 112.492 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 41' ' ' ARG . . . . . 0.44 ' N ' ' CD ' ' Q' ' 41' ' ' ARG . 0.9 OUTLIER -71.42 -26.0 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.234 -179.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Q' Q ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.01 -27.35 37.77 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.438 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 43' ' ' ALA . . . . . 0.774 ' O ' HD13 ' Q' ' 47' ' ' LEU . . . -82.19 -13.25 57.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.278 0.539 . . . . 0.0 111.766 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 44' ' ' LEU . . . . . 0.652 HD21 HG21 ' Q' ' 39' ' ' ILE . 56.4 mt -71.85 0.76 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.759 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 45' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' Q' ' 47' ' ' LEU . . . -69.87 -124.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.999 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.25 7.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 47' ' ' LEU . . . . . 0.774 HD13 ' O ' ' Q' ' 43' ' ' ALA . 9.4 mp -74.84 113.64 12.37 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.671 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 48' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' Q' ' 50' ' ' VAL . 9.2 m-20 -81.75 166.55 19.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.075 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 49' ' ' ILE . . . . . 0.654 ' O ' HD21 ' Q' ' 9' ' ' LEU . 0.0 OUTLIER -49.53 -17.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.054 -179.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Q' Q ' 50' ' ' VAL . . . . . 0.412 ' N ' ' C ' ' Q' ' 48' ' ' ASP . 14.6 t -75.85 -61.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.878 0.37 . . . . 0.0 110.023 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 51' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.71 -31.7 70.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -39.59 94.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 53' ' ' THR . . . . . . . . . . . . . 55.3 m -72.41 -45.32 60.25 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.168 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 54' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' Q' ' 58' ' ' ALA . 14.2 t70 -58.59 -41.26 85.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.202 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -57.27 -56.73 18.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 56' ' ' LEU . . . . . 0.436 HD23 HD11 ' Q' ' 39' ' ' ILE . 19.5 mt -64.66 -46.99 80.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.88 -35.17 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 58' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' Q' ' 54' ' ' ASP . . . -70.28 -45.72 65.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.718 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 59' ' ' SER . . . . . . . . . . . . . 13.3 t -80.95 -37.44 29.42 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 60' ' ' TYR . . . . . 0.539 ' C ' ' CG ' ' Q' ' 61' ' ' TYR . 69.2 m-85 -104.63 -6.96 19.99 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.098 0.408 . . . . 0.0 112.074 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 61' ' ' TYR . . . . . 0.539 ' CG ' ' C ' ' Q' ' 60' ' ' TYR . 0.4 OUTLIER 77.55 151.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Q' Q ' 62' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -56.43 -34.7 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 63' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' Q' ' 4' ' ' LYS . 6.1 m-20 -74.17 -52.11 13.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -177.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 64' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -78.87 -30.26 44.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.764 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 65' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' Q' ' 68' ' ' LEU . . . -55.3 -59.46 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.181 -1.007 . . . . 0.0 108.701 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 66' ' ' ALA . . . . . 0.795 ' O ' HG23 ' Q' ' 70' ' ' VAL . . . -45.33 -45.81 12.58 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 67' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.92 -35.73 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 68' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 0.3 OUTLIER -70.59 -54.97 9.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.043 178.188 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Q' Q ' 69' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' Q' ' 65' ' ' ALA . 48.7 t -58.36 -51.11 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.711 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 70' ' ' VAL . . . . . 0.795 HG23 ' O ' ' Q' ' 66' ' ' ALA . 70.1 t -49.49 -62.76 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.395 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.88 34.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 72' ' ' VAL . . . . . 0.452 HG23 ' O ' ' Q' ' 68' ' ' LEU . 52.2 t -68.15 -50.84 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.099 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 73' ' ' LEU . . . . . 0.6 ' HB2' ' HB2' ' Q' ' 82' ' ' ALA . 52.6 mt -57.01 -42.98 81.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.21 -40.8 82.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 75' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Q' ' 75' ' ' ASP . 33.1 t0 -64.24 -29.48 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.255 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 76' ' ' MET . . . . . . . . . . . . . 56.4 mtp -84.94 29.48 0.63 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 77' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 58.34 35.48 24.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 78' ' ' MET . . . . . . . . . . . . . 4.6 mtt -116.74 64.94 0.71 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 79' ' ' LEU . . . . . 0.479 HD22 ' N ' ' Q' ' 79' ' ' LEU . 3.6 mm? -69.45 -24.28 63.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.752 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -84.47 -53.76 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.442 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -56.88 -52.85 63.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.522 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 82' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' Q' ' 73' ' ' LEU . . . -56.31 -31.73 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.376 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.02 98.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -64.47 -31.04 72.08 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 85' ' ' LEU . . . . . 0.591 ' O ' HD23 ' Q' ' 85' ' ' LEU . 1.6 tt -70.82 -47.37 59.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.929 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -6.07 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 87' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' Q' ' 89' ' ' ALA . 38.5 ttt85 -85.72 -1.33 57.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.452 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.69 38.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 89' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' Q' ' 87' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.389 179.799 . . . . . . . . 1 1 . 1 stop_ save_