data_2k02_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 2k02 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 5' ' ' MET . 4.3 pp . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.521 0.2 . . . . 1.21 111.377 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.44 ' N ' HD13 ' A' ' 4' ' ' LEU . 59.0 mtm -56.88 -27.49 60.61 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.869 0.366 . . . . 2.9900000000000002 110.76 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 2.77 110.751 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.431 HG23 ' CE ' ' A' ' 36' ' ' MET . 64.3 t -58.82 -29.97 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.089 0.471 . . . . 2.2599999999999998 110.421 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -56.42 -54.67 42.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 2.5899999999999999 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -48.21 76.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 2.1899999999999999 110.817 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.6 mmt -50.69 -48.41 58.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 2.4100000000000001 110.743 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.69 -25.06 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 2.6699999999999999 110.903 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.34 65.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.49 111.093 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.1 mt -105.1 -28.34 11.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 2.5 111.133 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.49 -68.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 2.6400000000000001 111.066 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.72 -116.45 3.11 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.598 -0.81 . . . . 1.53 112.543 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.54 101.41 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 3.3100000000000001 110.905 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 mmt -152.53 169.87 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 2.6699999999999999 111.073 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 10.5 pt-20 -113.97 144.67 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 2.7000000000000002 110.783 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -79.81 -29.7 40.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 1.25 111.274 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -55.49 -32.45 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 2.4300000000000002 110.629 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.01 -49.47 77.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.982 -0.554 . . . . 2.4399999999999999 110.774 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -64.68 -53.02 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 2.3500000000000001 110.766 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -53.42 -41.24 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.6799999999999999 110.979 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.92 87.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 1.3100000000000001 110.975 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -58.99 -18.07 30.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 4.3399999999999999 111.265 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.94 8.44 14.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.721 -0.218 . . . . 2.2999999999999998 111.471 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 60.47 20.55 10.25 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.677 0.275 . . . . 2.6299999999999999 111.171 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.4 m -73.91 137.89 76.36 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.446 -0.343 . . . . 1.6000000000000001 110.996 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.29 129.11 10.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.396 2.064 . . . . 0.79000000000000004 112.188 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 96.5 mt-30 -77.73 -44.6 2.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 2.4300000000000002 111.467 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 74.3 Cg_exo -50.32 -30.9 27.92 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.136 1.89 . . . . 0.76000000000000001 112.196 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.29 -43.8 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 1.2 110.627 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 50.6 mm -48.75 -42.18 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 1.2 111.113 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' OD2' ' NE ' ' A' ' 72' ' ' ARG . 27.3 t70 -49.74 -41.64 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 1.6399999999999999 110.504 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.13 -26.53 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 1.1100000000000001 110.611 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.431 ' CE ' HG23 ' A' ' 7' ' ' VAL . 25.1 ttt -58.5 -56.5 21.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.885 -0.598 . . . . 2.2400000000000002 110.243 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 4.4 mp -73.28 -45.84 53.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.934 -0.575 . . . . 2.0299999999999998 110.34 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.49 -45.79 66.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.955 0.407 . . . . 2.3300000000000001 110.186 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -67.82 -36.99 81.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.592 . . . . 3.7599999999999998 110.483 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.471 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 42.8 ttm -63.69 -49.76 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 2.77 110.634 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 30.3 tt0 -76.98 -17.54 58.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 2.3399999999999999 111.091 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.93 -25.82 3.6 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.618 -0.265 . . . . 1.1799999999999999 111.428 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.0 ptp -86.11 -26.93 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 3.1600000000000001 110.594 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.34 60.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.64000000000000001 112.711 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -78.29 -80.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.61 0.243 . . . . 2.5099999999999998 111.063 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 78' ' ' LEU . 51.3 t -153.83 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.743 0.275 . . . . 1.9399999999999999 111.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG21 HG13 ' A' ' 46' ' ' VAL . 94.2 t -146.96 152.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.039 0.447 . . . . 2.04 111.425 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -147.36 136.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 2.8199999999999998 110.614 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.27 108.12 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 2.0499999999999998 111.247 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.442 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.8 p -91.19 134.34 34.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 1.45 111.13 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -137.42 145.61 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.538 . . . . 2.48 110.824 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 1.7 111.271 -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' OD2' ' A' ' 34' ' ' ASP . 29.5 ptt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.915 0.388 . . . . 3.4100000000000001 111.094 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -150.41 139.07 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 2.6499999999999999 110.694 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.4 pt-20 -116.3 172.53 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.002 0.429 . . . . 2.1899999999999999 111.432 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.463 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 6.1 m0 -116.83 156.51 27.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.86 -0.609 . . . . 4.2400000000000002 110.4 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.471 ' CH2' ' HG2' ' A' ' 40' ' ' MET . 60.0 t-105 -108.5 134.93 50.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.499 -0.318 . . . . 3.8399999999999999 110.75 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.81 145.45 28.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.981 0.419 . . . . 1.1399999999999999 111.643 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.434 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 4.6 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.71 110.737 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 5' ' ' MET . 4.4 pp . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.698 0.285 . . . . 1.21 111.247 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.438 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtm -52.54 -36.65 56.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 2.9900000000000002 110.734 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.85 -63.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 2.77 110.677 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.11 -32.89 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.209 0.528 . . . . 2.2599999999999998 110.235 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.34 -49.15 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.532 -0.758 . . . . 2.5899999999999999 110.857 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.24 -45.75 86.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.5 . . . . 2.1899999999999999 110.793 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.2 mmt -51.6 -61.07 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 2.4100000000000001 110.744 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.14 -47.53 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 2.6699999999999999 110.772 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -24.48 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 1.49 111.199 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.7 mt -106.29 -26.24 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 2.5 111.043 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.63 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 2.6400000000000001 111.226 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.48 -112.1 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.833 -0.698 . . . . 1.53 112.548 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 4.5 mpt_? -110.36 121.71 45.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.589 0.233 . . . . 3.3100000000000001 110.64 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.484 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 80.9 mtp -159.89 175.35 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 2.6699999999999999 111.175 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 75' ' ' TRP . 1.1 pm0 -107.73 147.15 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 2.7000000000000002 110.801 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 -22.24 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 1.25 111.618 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -49.96 -40.13 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 2.4300000000000002 110.914 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -66.9 -51.22 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 2.4399999999999999 110.609 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.8 -44.77 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 2.3500000000000001 110.646 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.4 p -60.01 -38.28 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 1.6799999999999999 110.712 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.3100000000000001 111.052 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -54.55 -30.98 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 4.3399999999999999 110.739 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.28 12.71 11.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 2.2999999999999998 111.315 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 57.04 109.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.824 0.345 . . . . 2.6299999999999999 110.952 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.3 m -157.38 138.04 9.22 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 1.6000000000000001 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -48.39 108.48 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.516 2.144 . . . . 0.79000000000000004 112.42 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 47.6 mt-30 -53.75 -45.11 98.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.4300000000000002 111.423 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -45.02 -40.64 15.52 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.186 1.924 . . . . 0.76000000000000001 112.159 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -72.91 -39.92 65.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.928 -0.578 . . . . 1.2 110.68 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.4 mm -48.12 -56.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 1.2 111.268 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -52.56 -47.43 66.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.6399999999999999 110.674 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.12 -26.57 64.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 1.1100000000000001 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.3 ttp -64.05 -54.78 28.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.052 -0.522 . . . . 2.2400000000000002 110.068 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 50.8 mt -65.73 -51.9 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.564 -0.744 . . . . 2.0299999999999998 110.23 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' ALA . 36.9 tt0 -49.7 -43.67 47.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 2.3300000000000001 110.872 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -63.49 -44.77 93.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 3.7599999999999998 110.667 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ttt -58.06 -42.22 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 2.77 110.741 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.2 tm-20 -84.65 -23.04 29.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 2.3399999999999999 110.688 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.64 -25.13 3.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 1.1799999999999999 110.826 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.22 -24.32 30.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 3.1600000000000001 110.612 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 116.19 60.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.896 -0.668 . . . . 0.64000000000000001 112.378 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -85.64 -71.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 2.5099999999999998 110.813 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -156.04 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.514 -0.312 . . . . 1.9399999999999999 111.405 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 48' ' ' ARG . 7.1 p -150.02 154.49 8.99 Favored 'Isoleucine or valine' 0 C--O 1.23 0.05 0 CA-C-O 120.861 0.362 . . . . 2.04 111.071 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' N ' HG23 ' A' ' 47' ' ' VAL . 1.9 ppt_? -149.38 162.56 39.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 2.8199999999999998 111.433 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -133.98 112.25 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 2.0499999999999998 110.564 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.6 p -86.6 127.68 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.059 0.457 . . . . 1.45 111.704 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.17 153.68 49.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.685 . . . . 2.48 110.607 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.418 -0.355 . . . . 1.7 111.273 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.972 0.415 . . . . 3.4100000000000001 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.03 141.37 25.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 2.6499999999999999 110.502 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 11.7 pt-20 -116.4 172.24 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 2.1899999999999999 111.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.484 ' CZ2' ' HA ' ' A' ' 17' ' ' MET . 2.4 t-105 -103.38 139.8 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.924 -0.58 . . . . 4.2400000000000002 110.733 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.44 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 48.0 t90 -112.43 121.67 45.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 3.8399999999999999 110.571 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . . . -152.24 164.81 36.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 1.1399999999999999 111.511 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.445 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 3.1 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 1.71 110.952 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 5' ' ' MET . 4.5 pp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.686 0.279 . . . . 1.21 111.033 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' HD11 ' A' ' 4' ' ' LEU . 25.3 mmt -56.33 -39.18 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 2.9900000000000002 111.01 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.94 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 2.77 111.029 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.1 m -62.52 -28.33 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 2.2599999999999998 110.745 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -54.17 -60.28 3.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 2.5899999999999999 110.851 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.41 -48.67 64.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 2.1899999999999999 111.209 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 89.6 mmm -45.45 -49.73 13.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 2.4100000000000001 111.475 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 11' ' ' LEU . 8.5 mp -81.83 -33.06 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.37 . . . . 2.6699999999999999 111.076 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.54 -27.42 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 1.49 110.927 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.63 -23.95 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.571 . . . . 2.5 111.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -117.22 -71.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 2.6400000000000001 111.04 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 107.07 153.13 19.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 1.53 112.293 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.93 86.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 3.3100000000000001 110.817 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.0 mtp -158.27 175.05 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 2.6699999999999999 110.662 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' CB ' ' CD1' ' A' ' 75' ' ' TRP . 0.8 OUTLIER -120.71 132.87 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 2.7000000000000002 110.792 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -17.72 63.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 1.25 111.623 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HE2' ' NE2' ' A' ' 73' ' ' GLN . 14.9 ptmm? -51.51 -43.21 62.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 2.4300000000000002 110.849 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.04 -52.91 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 2.4399999999999999 110.857 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.1 mt -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 2.3500000000000001 110.969 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -66.06 -31.97 73.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.6799999999999999 110.624 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -32.9 26.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 1.3100000000000001 110.955 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.3 -26.22 62.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 4.3399999999999999 110.703 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -122.46 12.73 10.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 2.2999999999999998 111.285 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 58.75 111.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.878 0.37 . . . . 2.6299999999999999 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.3 m -159.19 139.31 8.79 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 1.6000000000000001 111.031 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -48.81 135.51 28.42 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.571 2.181 . . . . 0.79000000000000004 112.158 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 67.7 mt-30 -72.5 -43.75 9.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 2.4300000000000002 111.822 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.5 Cg_exo -58.4 -17.22 32.65 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.117 1.878 . . . . 0.76000000000000001 112.405 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -87.49 -49.56 7.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 1.2 111.117 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.96 -47.45 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.2 111.528 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -50.0 -36.72 29.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.359 . . . . 1.6399999999999999 110.841 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.81 -26.72 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 1.1100000000000001 110.563 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.75 -57.39 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 2.2400000000000002 110.102 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 4.4 mp -70.18 -47.42 61.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.763 -0.653 . . . . 2.0299999999999998 109.991 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.1 -42.89 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.067 0.46 . . . . 2.3300000000000001 109.953 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -60.22 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 3.7599999999999998 110.081 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.4 ttm -61.13 -28.11 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 2.77 110.105 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -86.97 -21.73 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.857 -0.61 . . . . 2.3399999999999999 110.618 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.76 -24.77 3.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.311 -0.404 . . . . 1.1799999999999999 110.804 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.5 ptm -93.58 -24.61 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 3.1600000000000001 110.6 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.18 59.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.64000000000000001 112.452 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -75.45 -61.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 2.5099999999999998 110.802 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.424 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.41 -93.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 1.9399999999999999 111.565 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.15 149.92 13.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 2.04 111.118 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -133.88 160.54 37.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 2.8199999999999998 111.118 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.58 97.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 2.0499999999999998 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 89.8 p -81.88 117.91 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.45 111.22 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -129.32 153.54 47.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 2.48 111.006 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.7 111.082 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.366 . . . . 3.4100000000000001 111.239 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 11.3 pt20 -142.43 130.33 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 2.6499999999999999 110.433 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -103.36 172.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 2.1899999999999999 111.621 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.416 ' CD1' ' CB ' ' A' ' 18' ' ' GLU . 5.1 m0 -114.75 145.92 41.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 4.2400000000000002 110.446 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 17.2 t90 -101.02 129.47 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.466 -0.334 . . . . 3.8399999999999999 110.798 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.04 146.2 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.1399999999999999 111.267 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD13 ' CZ3' ' A' ' 76' ' ' TRP . 2.6 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.0 -0.546 . . . . 1.71 110.834 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 5' ' ' MET . 4.1 pp . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.584 0.231 . . . . 1.21 111.429 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.445 ' N ' HD11 ' A' ' 4' ' ' LEU . 70.0 mtm -56.92 -43.6 81.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 2.9900000000000002 111.143 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.05 -63.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 2.77 111.201 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.58 -26.61 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 2.2599999999999998 110.851 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.83 -58.67 7.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 2.5899999999999999 110.804 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.56 -51.76 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 2.1899999999999999 111.516 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -45.2 -48.42 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.394 . . . . 2.4100000000000001 111.62 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 11' ' ' LEU . 8.3 mp -81.68 -35.51 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 2.6699999999999999 111.292 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.75 -23.37 29.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.438 -0.346 . . . . 1.49 111.284 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.21 -23.32 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 2.5 111.099 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -112.5 -66.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 2.6400000000000001 111.06 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.89 -115.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 1.53 112.522 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.6 mpt_? -53.06 108.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 3.3100000000000001 110.859 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.401 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 81.1 mtp -159.12 175.08 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.6699999999999999 110.915 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.3 pt-20 -138.81 144.74 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 2.7000000000000002 111.056 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -79.85 -18.84 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 1.25 111.512 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' NZ ' ' OE1' ' A' ' 73' ' ' GLN . 59.8 tttp -47.14 -42.11 18.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 2.4300000000000002 111.464 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.76 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.335 -0.393 . . . . 2.4399999999999999 111.089 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 23' ' ' SER . 4.2 pp -67.55 -19.4 65.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 2.3500000000000001 111.488 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.44 ' N ' HD11 ' A' ' 22' ' ' LEU . 97.8 p -71.26 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.66 0.267 . . . . 1.6799999999999999 110.783 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -23.55 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 1.3100000000000001 111.153 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -56.94 -29.22 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 4.3399999999999999 111.128 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.44 12.6 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.381 . . . . 2.2999999999999998 111.437 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 63.42 17.67 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.564 0.221 . . . . 2.6299999999999999 111.195 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.413 HG21 ' HD2' ' A' ' 29' ' ' PRO . 63.6 m -65.3 138.84 97.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.705 -0.225 . . . . 1.6000000000000001 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' HG21 ' A' ' 28' ' ' THR . 88.7 Cg_exo -46.15 121.24 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.465 2.11 . . . . 0.79000000000000004 112.361 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 89.7 mt-30 -71.75 -44.03 11.72 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.051 -0.522 . . . . 2.4300000000000002 111.643 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 58.8 Cg_exo -50.72 -26.06 16.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.176 1.917 . . . . 0.76000000000000001 112.176 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.4 -40.94 18.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 1.2 110.514 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -47.77 -49.18 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 1.2 111.244 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 14.6 t70 -56.86 -42.93 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.6399999999999999 110.82 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.62 -27.43 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 1.1100000000000001 110.652 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.8 ttp -66.08 -53.1 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 2.2400000000000002 110.02 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 45.7 mt -62.24 -55.6 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 2.0299999999999998 110.097 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.9 tt0 -53.83 -38.71 64.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 2.3300000000000001 110.303 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -55.03 -52.74 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 3.7599999999999998 110.589 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.1 tpt -57.28 -45.42 84.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.279 -0.418 . . . . 2.77 110.556 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.0 tm-20 -72.21 -22.45 61.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 2.3399999999999999 110.775 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.45 -24.84 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.842 0.354 . . . . 1.1799999999999999 110.863 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.3 mtm -85.53 -26.89 25.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 3.1600000000000001 110.5 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.67 63.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.817 -0.706 . . . . 0.64000000000000001 112.885 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -88.0 -84.91 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.586 0.232 . . . . 2.5099999999999998 111.019 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -143.18 -90.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 1.9399999999999999 111.278 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 m -154.09 164.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 121.035 0.445 . . . . 2.04 111.548 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -150.5 161.98 41.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 2.8199999999999998 110.576 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.7 105.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 2.0499999999999998 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.4 p -89.06 123.3 33.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 1.45 111.433 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.66 155.2 50.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.045 -0.525 . . . . 2.48 110.91 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 1.7 111.06 179.805 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.887 0.375 . . . . 3.4100000000000001 111.099 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.427 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 2.3 pt20 -143.38 137.29 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.834 -0.621 . . . . 2.6499999999999999 110.261 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.9 pt-20 -114.91 -176.94 3.01 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.657 -0.417 . . . . 2.1899999999999999 111.695 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 33.0 m0 -117.31 152.85 34.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.838 -0.619 . . . . 4.2400000000000002 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 78' ' ' LEU . 72.3 t-105 -111.64 118.91 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 3.8399999999999999 110.81 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.19 133.63 48.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 1.1399999999999999 111.216 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.482 HD13 ' CD1' ' A' ' 76' ' ' TRP . 4.5 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 1.71 110.937 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 5' ' ' MET . 4.4 pp . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.606 0.241 . . . . 1.21 111.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.426 ' N ' HD12 ' A' ' 4' ' ' LEU . 19.0 ptm -48.41 -36.13 14.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.917 0.389 . . . . 2.9900000000000002 111.076 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.68 -63.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 2.77 110.792 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -56.52 -29.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.418 . . . . 2.2599999999999998 110.593 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -57.99 -56.06 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.88 -0.6 . . . . 2.5899999999999999 110.68 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.73 -45.88 92.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 2.1899999999999999 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.6 mmt -50.42 -60.05 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 2.4100000000000001 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 17' ' ' MET . 4.3 mm? -63.57 -47.77 80.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 2.6699999999999999 111.127 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.7 -24.85 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 1.49 111.321 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 mt -111.96 16.53 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 2.5 111.569 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -138.1 -80.01 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.692 0.282 . . . . 2.6400000000000001 111.074 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.45 -82.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.677 -0.773 . . . . 1.53 112.751 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -100.5 106.67 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.676 0.274 . . . . 3.3100000000000001 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.465 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 71.9 mtp -161.5 173.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 2.6699999999999999 111.018 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 17.0 pt-20 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 2.7000000000000002 110.598 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HB1' HG23 ' A' ' 33' ' ' ILE . . . -80.94 -12.83 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 1.25 111.593 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -47.77 -62.43 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.347 . . . . 2.4300000000000002 111.315 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -56.46 -58.13 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 2.4399999999999999 110.852 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.8 mt -52.19 -35.36 48.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 2.3500000000000001 110.706 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.7 t -62.24 -50.84 70.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 1.6799999999999999 110.969 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 1.3100000000000001 110.817 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.67 -22.55 64.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 4.3399999999999999 111.158 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.63 -7.52 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 2.2999999999999998 111.613 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 65.7 19.5 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.594 0.235 . . . . 2.6299999999999999 111.205 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.403 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 43.0 m -80.4 138.89 51.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.509 -0.314 . . . . 1.6000000000000001 110.924 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 87.3 Cg_exo -46.44 130.85 14.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.451 2.101 . . . . 0.79000000000000004 112.392 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.2 mp0 -68.49 -46.33 36.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 2.4300000000000002 111.359 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.4 Cg_exo -45.09 -31.59 5.9 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.22 1.946 . . . . 0.76000000000000001 112.339 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -72.94 -33.05 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 1.2 110.475 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.411 HG23 ' HB1' ' A' ' 19' ' ' ALA . 48.0 mm -51.32 -53.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 1.2 110.867 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -48.8 -38.11 21.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.029 0.442 . . . . 1.6399999999999999 110.435 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -81.47 -26.0 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.687 -0.688 . . . . 1.1100000000000001 110.746 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.9 ttm -61.59 -52.05 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 2.2400000000000002 110.529 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 2.6 mm? -77.63 -50.65 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 2.0299999999999998 109.932 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.24 -44.03 43.28 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.946 -0.57 . . . . 2.3300000000000001 110.563 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 28.1 ttm180 -66.52 -54.34 24.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 3.7599999999999998 110.268 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.6 ttt -54.25 -37.95 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 2.77 110.373 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.8 tm-20 -84.64 -18.11 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 2.3399999999999999 110.845 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.22 3.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.425 -0.352 . . . . 1.1799999999999999 111.101 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.3 ptp -84.28 -27.22 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 3.1600000000000001 110.41 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 112.38 54.33 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.826 -0.702 . . . . 0.64000000000000001 112.659 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -69.48 -72.49 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.694 0.283 . . . . 2.5099999999999998 110.995 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.05 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 1.9399999999999999 111.463 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.76 159.64 9.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 2.04 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -150.17 162.47 40.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 2.8199999999999998 111.173 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.77 105.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 2.0499999999999998 111.098 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.2 p -82.6 120.25 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 1.45 111.141 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -126.19 151.26 47.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.83 -0.623 . . . . 2.48 110.943 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 1.7 111.068 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.737 0.303 . . . . 3.4100000000000001 110.755 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -142.12 140.97 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.385 . . . . 2.6499999999999999 110.945 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -118.62 153.15 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 2.1899999999999999 111.271 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 9.5 t-105 -91.27 153.79 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.798 -0.637 . . . . 4.2400000000000002 110.629 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.529 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 59.4 t90 -129.46 124.53 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 3.8399999999999999 110.992 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.53 169.45 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 1.1399999999999999 111.337 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 1.71 110.792 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 5' ' ' MET . 3.9 pp . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.547 0.213 . . . . 1.21 111.342 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.429 ' N ' HD11 ' A' ' 4' ' ' LEU . 1.6 mpt? -64.9 -34.31 78.09 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 2.9900000000000002 110.686 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 2.77 110.508 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.6 -30.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 2.2599999999999998 110.254 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -56.81 -44.93 82.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 2.5899999999999999 110.533 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 2.1899999999999999 110.461 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mmt -50.83 -53.97 27.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 2.4100000000000001 110.523 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.49 ' HG ' ' CG ' ' A' ' 76' ' ' TRP . 3.8 mm? -70.74 -29.27 65.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 2.6699999999999999 110.995 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -33.77 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.49 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -93.53 -45.88 7.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 2.5 111.205 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -94.03 -76.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 2.6400000000000001 111.014 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.82 155.01 23.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 1.53 112.442 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.0 OUTLIER 56.31 89.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.631 0.253 . . . . 3.3100000000000001 111.12 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.451 ' O ' ' CD1' ' A' ' 75' ' ' TRP . 62.0 mtm -161.95 175.78 11.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 2.6699999999999999 110.942 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.66 152.71 32.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.579 . . . . 2.7000000000000002 110.581 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -81.9 -14.01 56.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 1.25 111.453 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' CD ' ' OE1' ' A' ' 73' ' ' GLN . 62.8 pttt -67.48 -46.12 73.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.744 0.307 . . . . 2.4300000000000002 110.896 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -61.31 -55.02 36.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 2.4399999999999999 110.969 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.56 -39.24 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 2.3500000000000001 110.993 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p -68.3 -39.24 82.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.6799999999999999 110.805 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.42 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.535 . . . . 1.3100000000000001 111.142 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -62.42 -26.56 68.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 4.3399999999999999 110.815 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.3 mt -125.84 14.26 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 2.2999999999999998 111.42 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 56.42 105.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 2.6299999999999999 110.856 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -150.87 138.55 12.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.517 . . . . 1.6000000000000001 110.779 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -44.09 108.24 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.517 2.145 . . . . 0.79000000000000004 112.39 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 43.6 mt-30 -58.04 -44.24 99.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 2.4300000000000002 111.642 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 69.0 Cg_exo -50.47 -26.64 16.8 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.149 1.899 . . . . 0.76000000000000001 112.228 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -84.66 -41.06 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 1.2 110.684 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CG2' ' HB1' ' A' ' 19' ' ' ALA . 49.6 mm -47.64 -52.53 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 1.2 111.402 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' HB2' ' HB2' ' A' ' 72' ' ' ARG . 8.5 t70 -48.87 -36.68 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 1.6399999999999999 110.748 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.65 -25.56 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.711 -0.677 . . . . 1.1100000000000001 110.874 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' A' ' 19' ' ' ALA . 51.8 ttp -63.33 -53.45 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 2.2400000000000002 110.907 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 19' ' ' ALA . 6.1 mp -74.87 -44.64 47.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 2.0299999999999998 111.078 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.93 -42.64 90.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 2.3300000000000001 110.948 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -70.07 -41.65 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 3.7599999999999998 110.997 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 15.9 tpt -51.22 -55.44 18.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 2.77 110.776 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.65 -20.71 58.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 2.3399999999999999 111.108 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.2 -25.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 1.1799999999999999 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 79.9 mmm -98.06 -23.34 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 3.1600000000000001 110.816 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.04 82.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.699 -0.762 . . . . 0.64000000000000001 112.443 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 52.5 tptt -103.71 -87.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.537 0.208 . . . . 2.5099999999999998 111.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 99.5 t -157.43 -84.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 116.623 -0.262 . . . . 1.9399999999999999 111.172 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.8 t -145.1 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.871 0.367 . . . . 2.04 111.108 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -152.95 162.43 41.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 2.8199999999999998 110.532 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 mt -133.51 107.9 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 2.0499999999999998 111.166 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.425 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 78.7 p -77.05 110.11 11.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 1.45 110.899 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.44 138.74 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.7 110.94 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 76.3 mtm180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.955 0.407 . . . . 3.4100000000000001 111.189 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' CD ' ' A' ' 20' ' ' LYS . 6.6 pt20 -151.98 115.58 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 2.6499999999999999 110.64 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -93.8 -169.81 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 2.1899999999999999 110.824 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.521 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 4.8 t-105 -126.18 147.07 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.749 -0.659 . . . . 4.2400000000000002 110.632 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.521 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 3.0 t90 -113.63 111.88 22.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 3.8399999999999999 110.298 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.82 138.47 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 1.1399999999999999 111.355 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 78' ' ' LEU . 6.2 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 1.71 110.705 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 5' ' ' MET . 4.6 pp . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.673 0.273 . . . . 1.21 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.432 ' N ' HD11 ' A' ' 4' ' ' LEU . 38.3 tpp -51.62 -46.18 63.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.454 -0.339 . . . . 2.9900000000000002 110.935 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -58.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 2.77 110.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.408 HG23 ' CD1' ' A' ' 22' ' ' LEU . 57.8 t -56.33 -33.51 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 2.2599999999999998 110.482 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -57.03 -59.15 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.834 -0.621 . . . . 2.5899999999999999 110.975 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.22 -43.58 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 2.1899999999999999 110.987 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.3 mtp -49.06 -56.49 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 2.4100000000000001 111.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.0 mp -80.27 -35.03 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.39 . . . . 2.6699999999999999 111.133 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -21.08 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.49 111.548 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.8 27.8 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 2.5 111.229 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -148.71 -58.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 2.6400000000000001 111.044 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.58 -116.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 1.53 112.482 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 8.5 mpt_? -71.47 109.28 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 3.3100000000000001 110.92 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.406 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 85.9 mtp -154.3 156.21 36.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.6699999999999999 110.811 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HG2' ' CG ' ' A' ' 75' ' ' TRP . 24.2 mt-10 -105.23 148.75 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.7000000000000002 110.894 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.55 -20.96 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 1.25 111.12 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 73' ' ' GLN . 21.8 ptmt -64.86 -26.44 68.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.295 -0.412 . . . . 2.4300000000000002 111.153 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.85 -58.28 9.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 2.4399999999999999 110.978 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' CD1' HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -69.41 -32.55 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 2.3500000000000001 111.019 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' GLN . 56.2 p -60.59 -39.27 87.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 1.6799999999999999 110.684 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.25 28.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.093 -0.503 . . . . 1.3100000000000001 111.048 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 4.3399999999999999 110.811 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' N ' HD21 ' A' ' 26' ' ' LEU . 3.8 mm? -101.18 -15.52 17.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 2.2999999999999998 111.328 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' SER . 54.9 mt-30 64.42 82.32 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.796 0.331 . . . . 2.6299999999999999 111.261 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -139.93 146.03 45.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 1.6000000000000001 110.831 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.07 116.56 0.6 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.48 2.12 . . . . 0.79000000000000004 112.5 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.3 mm-40 -61.59 -43.86 89.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 2.4300000000000002 111.645 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -53.4 -45.91 37.65 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.136 1.891 . . . . 0.76000000000000001 112.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 1.2 110.643 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.9 mm -48.23 -44.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.2 110.984 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' CD ' ' A' ' 72' ' ' ARG . 17.5 t70 -50.06 -38.39 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.6399999999999999 110.875 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.62 -25.38 45.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 1.1100000000000001 110.998 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.14 -57.08 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 2.2400000000000002 110.374 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 6.6 mp -70.59 -41.48 72.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.545 . . . . 2.0299999999999998 110.133 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.08 -42.88 66.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.121 -0.49 . . . . 2.3300000000000001 110.18 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -67.52 -45.86 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 3.7599999999999998 110.481 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.41 -45.61 80.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 2.77 110.437 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.37 -28.63 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 2.3399999999999999 110.234 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.19 -25.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.1799999999999999 110.859 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.73 -25.1 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 3.1600000000000001 110.749 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.58 69.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.64000000000000001 112.569 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -92.0 -76.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.605 0.241 . . . . 2.5099999999999998 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -154.06 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.508 -0.315 . . . . 1.9399999999999999 111.16 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -142.72 147.34 20.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 2.04 111.449 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -135.4 150.31 49.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 2.8199999999999998 110.805 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.486 HG22 ' CZ3' ' A' ' 75' ' ' TRP . 34.1 mm -129.05 102.37 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 2.0499999999999998 110.846 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 78.6 p -90.89 116.99 29.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.966 0.412 . . . . 1.45 111.263 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -124.96 157.32 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.967 -0.561 . . . . 2.48 110.694 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 1.7 111.328 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' CD ' ' OD1' ' A' ' 34' ' ' ASP . 8.6 ptp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.022 0.439 . . . . 3.4100000000000001 111.204 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 17.4 pt20 -144.11 131.25 20.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 2.6499999999999999 110.485 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.8 pt-20 -107.35 168.74 9.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.041 0.448 . . . . 2.1899999999999999 111.78 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.486 ' CZ3' HG22 ' A' ' 49' ' ' ILE . 3.0 m0 -113.96 153.52 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 4.2400000000000002 109.984 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.466 ' CH2' HD12 ' A' ' 78' ' ' LEU . 26.1 t90 -121.41 140.15 52.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 3.8399999999999999 111.534 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.23 137.07 21.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 1.1399999999999999 111.113 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 HD12 ' CH2' ' A' ' 76' ' ' TRP . 3.5 mp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 1.71 110.698 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 5' ' ' MET . 4.3 pp . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.533 0.206 . . . . 1.21 111.515 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 4' ' ' LEU . 85.2 mtp -60.15 -40.99 91.81 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.786 0.327 . . . . 2.9900000000000002 110.97 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.64 -63.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 2.77 110.751 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 t -55.96 -40.92 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 116.158 -0.474 . . . . 2.2599999999999998 110.051 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -47.73 -56.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 2.5899999999999999 110.893 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.06 -45.89 79.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 2.1899999999999999 110.239 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 92.8 mmm -52.53 -28.81 22.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 2.4100000000000001 110.559 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.477 HD12 ' CG ' ' A' ' 76' ' ' TRP . 75.4 mt -76.15 -56.13 4.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 2.6699999999999999 111.108 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.13 -23.03 12.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 1.49 111.474 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 2.2 mp -107.46 17.81 22.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 2.5 111.845 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -158.34 -77.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 2.6400000000000001 111.363 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.34 -108.84 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 1.53 112.214 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.23 123.89 18.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 3.3100000000000001 110.588 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' TRP . 57.5 mtp -160.43 175.92 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 2.6699999999999999 111.165 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.9 pt-20 -148.55 141.86 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 2.7000000000000002 110.855 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -75.42 -23.4 56.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 1.25 110.987 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -49.43 -60.0 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 2.4300000000000002 111.218 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -53.85 -53.92 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 2.4399999999999999 110.992 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.82 -37.04 73.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 2.3500000000000001 111.065 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.5 m -66.22 -44.29 84.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 1.6799999999999999 111.186 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.77 -21.79 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.3100000000000001 111.587 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -84.34 -30.44 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 4.3399999999999999 111.156 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 26' ' ' LEU . 3.6 mm? -108.53 0.48 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 2.2999999999999998 111.607 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 64.03 100.92 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.883 0.373 . . . . 2.6299999999999999 110.835 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 87.8 m -163.22 139.19 5.4 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.155 -0.475 . . . . 1.6000000000000001 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 89.4 Cg_exo -43.47 138.18 5.3 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.213 . . . . 0.79000000000000004 112.301 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mp0 -77.17 -44.74 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 2.4300000000000002 111.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.0 Cg_exo -51.82 -47.62 25.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.15 1.9 . . . . 0.76000000000000001 112.273 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' O ' ' A' ' 32' ' ' LEU . 3.0 tm? -53.11 -45.72 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 1.2 110.716 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 47.3 mm -47.59 -40.43 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.2 111.267 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' HA ' ' CG ' ' A' ' 74' ' ' GLU . 16.0 t70 -51.34 -38.39 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 1.6399999999999999 110.801 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.41 -30.86 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.874 -0.603 . . . . 1.1100000000000001 111.348 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.1 ttp -58.29 -51.41 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 2.2400000000000002 111.242 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 76' ' ' TRP . 4.7 mp -79.4 -46.74 16.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 2.0299999999999998 111.085 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 12.6 mm-40 -56.93 -41.61 78.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.316 . . . . 2.3300000000000001 110.904 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 79.0 ttt180 -70.42 -56.23 7.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 3.7599999999999998 110.617 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.1 tpt -52.94 -34.29 54.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 2.77 110.608 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.13 -27.0 24.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 2.3399999999999999 110.482 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.43 -24.99 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 1.1799999999999999 110.936 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.73 -24.82 33.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.336 -0.393 . . . . 3.1600000000000001 110.585 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 56.54 0.3 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.799 -0.715 . . . . 0.64000000000000001 112.688 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HG2' ' CZ3' ' A' ' 76' ' ' TRP . 58.1 tptt -70.2 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.529 0.204 . . . . 2.5099999999999998 110.843 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 75.7 t -157.55 -78.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.629 -0.259 . . . . 1.9399999999999999 110.999 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 67.4 t -152.04 135.68 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 2.04 111.262 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 48' ' ' ARG . 5.2 ppt_? -133.31 162.68 31.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 2.8199999999999998 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' TRP . 69.7 mt -134.87 113.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 2.0499999999999998 111.135 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -86.46 115.72 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 1.45 110.698 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CB ' ' CZ2' ' A' ' 75' ' ' TRP . 10.0 tp10 -134.67 156.74 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 2.48 111.079 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.7 111.096 179.871 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 3.4100000000000001 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.36 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 2.6499999999999999 110.95 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -94.81 171.77 8.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 2.1899999999999999 110.669 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.484 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 13.6 m0 -125.02 149.61 47.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 4.2400000000000002 110.763 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.477 ' CG ' HD12 ' A' ' 11' ' ' LEU . 49.6 m95 -95.82 147.68 23.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 3.8399999999999999 111.193 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 126.79 3.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.057 -0.52 . . . . 1.1399999999999999 111.05 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 5.0 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.71 110.94 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.633 0.254 . . . . 1.21 111.095 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.439 ' N ' HD12 ' A' ' 4' ' ' LEU . 23.0 ttt -56.88 -40.69 76.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 2.9900000000000002 110.992 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.28 -64.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 2.77 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.56 -38.13 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 2.2599999999999998 110.37 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -49.89 -59.27 4.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.661 -0.7 . . . . 2.5899999999999999 111.04 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 2.1899999999999999 111.246 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.4 mtp -50.71 -55.78 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 2.4100000000000001 111.065 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 11' ' ' LEU . 7.6 mp -73.81 -42.89 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 2.6699999999999999 111.027 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.17 -26.82 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.49 111.133 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 2.6 mp -112.15 20.73 16.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 2.5 111.376 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -136.74 -48.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.498 -0.319 . . . . 2.6400000000000001 110.953 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.82 -132.72 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 1.53 112.646 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -87.78 139.73 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 3.3100000000000001 110.972 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.47 175.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 2.6699999999999999 111.151 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 15.1 pt-20 -133.71 163.16 30.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 2.7000000000000002 110.801 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -79.85 -22.68 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 1.25 111.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -48.01 -53.16 17.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.37 -0.377 . . . . 2.4300000000000002 111.016 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -53.96 -51.37 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.4399999999999999 110.966 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.69 -28.89 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 2.3500000000000001 110.829 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' THR . 44.0 t -78.11 -27.04 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 1.6799999999999999 110.91 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 -33.78 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 1.3100000000000001 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -61.91 -24.68 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 4.3399999999999999 110.966 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.53 8.36 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 2.2999999999999998 111.665 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.22 21.73 12.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.703 0.287 . . . . 2.6299999999999999 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.428 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 90.5 m -66.36 140.16 96.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 1.6000000000000001 111.005 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 71.1 Cg_exo -48.51 132.77 25.41 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.79000000000000004 112.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.9 mt-30 -82.89 -44.33 0.89 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 2.4300000000000002 111.628 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 77.9 Cg_exo -48.13 -39.22 33.71 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.308 2.005 . . . . 0.76000000000000001 112.418 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -67.8 -44.07 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.2 110.847 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 48.5 mm -48.46 -36.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 1.2 111.372 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.9 t70 -47.49 -37.53 12.05 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.147 0.499 . . . . 1.6399999999999999 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.7 -29.47 32.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.734 . . . . 1.1100000000000001 110.762 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.2 tpp -56.64 -49.52 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 2.2400000000000002 110.386 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 37' ' ' LEU . 3.1 mm? -78.84 -46.62 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 2.0299999999999998 110.568 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.88 -45.18 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 2.3300000000000001 110.405 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -66.7 -48.51 69.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.011 -0.541 . . . . 3.7599999999999998 110.583 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 41.4 ttm -54.87 -49.39 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 2.77 110.449 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -74.99 -17.92 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 2.3399999999999999 111.198 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.44 -26.62 5.25 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.91 0.386 . . . . 1.1799999999999999 111.156 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.4 mmt -82.2 -23.7 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 3.1600000000000001 110.706 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.72 45.24 1.14 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.76 -0.733 . . . . 0.64000000000000001 112.283 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -52.69 -80.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.695 0.284 . . . . 2.5099999999999998 110.928 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 78' ' ' LEU . 21.5 t -156.52 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 1.9399999999999999 110.984 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -149.78 149.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 2.04 110.83 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.93 139.67 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 2.8199999999999998 110.884 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.6 mm -118.38 127.43 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 2.0499999999999998 111.283 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 1.45 110.857 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.84 144.91 49.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 2.48 111.18 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.7 111.053 179.737 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.895 0.378 . . . . 3.4100000000000001 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.91 146.1 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 2.6499999999999999 110.767 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -103.59 178.01 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 2.1899999999999999 111.153 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CE3' ' OE2' ' A' ' 18' ' ' GLU . 3.0 t-105 -126.35 140.08 52.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 4.2400000000000002 110.33 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.444 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 69.7 t90 -107.07 115.92 31.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 3.8399999999999999 110.8 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.83 160.45 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 1.1399999999999999 111.294 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 3.0 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 1.71 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.466 ' CD1' ' CE ' ' A' ' 40' ' ' MET . 4.0 pp . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.534 0.207 . . . . 1.21 111.552 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.437 ' N ' HD13 ' A' ' 4' ' ' LEU . 47.1 ttm -49.55 -50.56 41.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 2.9900000000000002 111.231 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -52.05 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 2.77 110.781 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.6 m -54.75 -29.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.151 0.501 . . . . 2.2599999999999998 110.205 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -54.25 -56.28 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 2.5899999999999999 110.292 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.79 -38.96 90.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 2.1899999999999999 110.641 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.2 mmm -49.29 -57.61 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 2.4100000000000001 110.973 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 17' ' ' MET . 3.6 mm? -62.55 -38.72 91.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 2.6699999999999999 111.003 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.63 -40.14 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 1.49 111.263 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -50.1 -58.99 4.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 2.5 111.175 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.41 -74.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 2.6400000000000001 111.035 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.14 -37.62 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 1.53 112.658 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 10.3 mpt_? -104.49 103.03 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 3.3100000000000001 111.29 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.438 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 48.1 mtt -155.01 173.75 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 2.6699999999999999 110.854 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -149.62 156.76 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 2.7000000000000002 111.08 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 33' ' ' ILE . . . -83.03 -13.58 55.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.25 111.617 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -46.93 -56.02 7.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.678 0.275 . . . . 2.4300000000000002 111.342 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.58 -52.3 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 2.4399999999999999 110.812 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 22' ' ' LEU . 7.6 mp -58.85 -30.62 67.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 2.3500000000000001 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -73.65 -30.39 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.6799999999999999 110.986 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.37 -27.32 29.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 1.3100000000000001 111.186 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -92.32 -20.91 20.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 4.3399999999999999 111.181 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.56 -16.6 14.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 2.2999999999999998 111.403 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.61 97.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 2.6299999999999999 110.671 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.428 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 82.0 m -154.21 139.53 12.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 1.6000000000000001 111.002 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 85.4 Cg_exo -39.33 119.51 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.652 2.234 . . . . 0.79000000000000004 112.542 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 20.9 mp0 -65.74 -43.81 61.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 2.4300000000000002 111.731 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -52.99 -19.97 12.52 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.146 1.897 . . . . 0.76000000000000001 112.375 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.26 -42.17 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 1.2 110.286 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' HB1' ' A' ' 19' ' ' ALA . 48.9 mm -50.17 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 1.2 111.38 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.49 -39.01 21.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.865 0.364 . . . . 1.6399999999999999 110.921 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.3 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 1.1100000000000001 110.719 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.414 ' HE2' ' CB ' ' A' ' 19' ' ' ALA . 55.1 ttp -61.92 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 2.2400000000000002 110.306 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 82.6 mt -64.29 -49.56 71.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.014 -0.539 . . . . 2.0299999999999998 110.131 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' ALA . 10.1 tp10 -53.48 -37.74 62.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 2.3300000000000001 110.484 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -61.37 -59.33 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 3.7599999999999998 111.021 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 4' ' ' LEU . 42.8 tpp -56.62 -36.29 69.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 2.77 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.71 -20.18 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 2.3399999999999999 111.157 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -39.14 42.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 1.1799999999999999 111.243 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.42 -26.71 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 3.1600000000000001 110.623 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.42 55.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.756 -0.735 . . . . 0.64000000000000001 112.805 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -65.84 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 2.5099999999999998 111.135 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.421 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 99.1 t -153.81 -84.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 1.9399999999999999 111.207 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.8 t -144.2 139.66 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.825 0.345 . . . . 2.04 110.938 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -131.89 162.52 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 2.8199999999999998 111.021 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.8 mt -145.34 111.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 2.0499999999999998 110.951 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 29.2 t -93.6 117.9 30.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.45 111.211 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.76 154.31 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 2.48 110.748 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 1.7 111.048 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.875 0.369 . . . . 3.4100000000000001 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -147.99 135.28 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 2.6499999999999999 110.498 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 13.0 pt-20 -105.85 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.102 0.477 . . . . 2.1899999999999999 111.888 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 2.1 t-105 -120.14 140.27 51.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 4.2400000000000002 110.287 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 10.3 t90 -110.32 117.77 34.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.938 0.399 . . . . 3.8399999999999999 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.72 138.68 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 1.1399999999999999 111.143 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 78' ' ' LEU . 4.8 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 1.71 110.657 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 5' ' ' MET . 4.4 pp . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.573 0.225 . . . . 1.21 111.324 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.428 ' N ' HD11 ' A' ' 4' ' ' LEU . 65.5 mtt -60.7 -29.99 69.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 2.9900000000000002 110.941 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.92 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 2.77 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.85 -32.9 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.142 -0.481 . . . . 2.2599999999999998 110.415 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.01 -61.25 2.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 2.5899999999999999 110.786 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.29 -51.2 59.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 2.1899999999999999 110.498 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -58.85 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 2.4100000000000001 110.368 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' CZ3' ' A' ' 76' ' ' TRP . 21.1 tp -66.01 -58.33 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 2.6699999999999999 110.603 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.77 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 1.49 110.994 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.55 3.36 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 2.5 111.626 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -151.63 -69.48 0.17 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.815 0.341 . . . . 2.6400000000000001 110.907 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 99.8 136.75 9.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 1.53 112.421 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 8.2 mpt_? 55.77 94.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.703 0.287 . . . . 3.3100000000000001 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.404 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 68.9 mtm -159.64 175.14 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 2.6699999999999999 110.82 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -123.18 149.09 45.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 2.7000000000000002 110.741 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HB1' ' CG2' ' A' ' 33' ' ' ILE . . . -82.14 -18.72 41.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 1.25 111.479 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -52.81 -43.28 65.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 2.4300000000000002 111.128 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.22 -57.54 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 2.4399999999999999 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.24 -29.2 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 2.3500000000000001 111.041 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.7 t -76.45 -25.94 54.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.6799999999999999 110.807 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.5 -42.75 52.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 1.3100000000000001 110.802 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -72.72 -28.74 62.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 4.3399999999999999 110.86 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -96.86 -16.26 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 2.2999999999999998 111.542 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 64.01 93.34 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.821 0.344 . . . . 2.6299999999999999 111.01 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.432 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 40.1 m -151.07 138.91 12.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 1.6000000000000001 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 82.6 Cg_exo -44.49 132.95 9.78 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.425 2.083 . . . . 0.79000000000000004 112.414 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.1 mp0 -65.86 -46.0 65.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 2.4300000000000002 111.579 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 88.9 Cg_exo -45.57 -39.89 17.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.257 1.971 . . . . 0.76000000000000001 112.143 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.57 -51.47 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 1.2 110.678 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' HB1' ' A' ' 19' ' ' ALA . 49.8 mm -47.85 -47.21 12.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.281 -0.418 . . . . 1.2 110.957 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.36 -39.03 78.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.6399999999999999 110.393 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -26.32 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 1.1100000000000001 110.752 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.06 -60.22 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 2.2400000000000002 110.142 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 6.4 mp -67.31 -45.89 75.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.864 -0.607 . . . . 2.0299999999999998 109.863 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' ALA . 39.0 tt0 -52.85 -54.02 40.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 2.3300000000000001 109.952 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -53.86 -39.31 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.65 . . . . 3.7599999999999998 110.347 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.4 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 16.8 tpt -64.55 -62.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 2.77 110.598 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.77 -17.87 64.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 2.3399999999999999 110.965 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -24.52 2.97 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.786 0.327 . . . . 1.1799999999999999 111.236 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.403 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 59.1 mtt -87.64 -25.27 23.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 3.1600000000000001 110.724 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.51 56.65 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.816 -0.707 . . . . 0.64000000000000001 112.516 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 3.4 mptp? -71.74 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.618 0.247 . . . . 2.5099999999999998 111.089 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 78' ' ' LEU . 58.6 t -144.01 -83.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.61 -0.268 . . . . 1.9399999999999999 111.595 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 77' ' ' ALA . 33.5 m -146.83 142.11 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 CA-C-O 121.053 0.454 . . . . 2.04 111.771 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -141.46 159.65 41.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 2.8199999999999998 110.348 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mm -132.61 113.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 2.0499999999999998 111.329 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.8 p -95.58 119.37 33.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 1.45 111.296 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -133.6 146.58 51.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 2.48 110.553 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 1.7 111.342 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.817 0.341 . . . . 3.4100000000000001 110.8 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -150.43 121.99 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 2.6499999999999999 110.907 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.4 pt-20 -107.09 179.16 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.896 0.379 . . . . 2.1899999999999999 111.281 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.52 ' CD1' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m0 -126.05 146.27 49.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 4.2400000000000002 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.475 ' CZ3' HD23 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -102.96 125.78 49.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 3.8399999999999999 110.611 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 47' ' ' VAL . . . -145.73 165.74 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.153 0.502 . . . . 1.1399999999999999 111.845 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 4.9 mp . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 1.71 110.708 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 5' ' ' MET . 4.6 pp . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.698 0.285 . . . . 1.21 111.228 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.44 ' N ' HD13 ' A' ' 4' ' ' LEU . 24.9 ptm -54.3 -35.63 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 2.9900000000000002 111.049 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.27 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.531 . . . . 2.77 110.656 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 p -61.68 -29.09 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.488 -0.778 . . . . 2.2599999999999998 110.32 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -53.85 -60.53 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.524 -0.762 . . . . 2.5899999999999999 110.958 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.3 -45.49 91.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 2.1899999999999999 111.201 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 94.8 mmm -47.13 -56.81 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 2.4100000000000001 111.3 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' N ' HD11 ' A' ' 11' ' ' LEU . 8.3 mp -74.59 -25.16 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 2.6699999999999999 110.856 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.28 -39.73 67.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 1.49 110.915 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 3.2 mp -107.76 27.53 9.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.542 . . . . 2.5 110.98 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -127.86 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.6400000000000001 110.852 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.73 -125.95 3.14 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.7 -0.762 . . . . 1.53 112.435 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.7 mpt_? -74.88 123.13 24.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.706 0.289 . . . . 3.3100000000000001 110.761 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 7.4 mtp -170.2 175.55 4.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 2.6699999999999999 111.188 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -141.47 141.75 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 2.7000000000000002 110.705 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.06 -20.34 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 1.25 111.194 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -48.33 -51.68 25.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 2.4300000000000002 111.132 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -55.22 -56.12 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 2.4399999999999999 110.741 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.57 -26.49 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 2.3500000000000001 111.035 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -62.02 -49.11 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 1.6799999999999999 110.927 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.47 -34.64 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 1.3100000000000001 111.124 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -68.22 -26.59 65.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 4.3399999999999999 111.016 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.83 11.67 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 2.2999999999999998 111.382 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 57.1 107.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.895 0.379 . . . . 2.6299999999999999 110.991 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -162.79 138.06 5.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 1.6000000000000001 110.71 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -49.58 143.04 22.57 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.616 2.21 . . . . 0.79000000000000004 112.243 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.5 mt-30 -77.09 -44.22 2.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 2.4300000000000002 111.894 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.3 Cg_exo -56.36 -34.59 94.61 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.046 1.831 . . . . 0.76000000000000001 112.129 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.43 -37.8 83.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 1.2 110.708 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mm -48.49 -54.65 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 1.2 111.456 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -49.13 -40.03 30.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 1.6399999999999999 110.85 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.21 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 1.1100000000000001 110.82 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.2 ttm -64.7 -54.59 29.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 2.2400000000000002 110.64 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 2.8 mm? -73.78 -46.97 42.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 2.0299999999999998 110.437 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ALA . 9.6 tp10 -54.38 -40.11 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 2.3300000000000001 110.403 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -65.47 -53.68 39.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 3.7599999999999998 110.672 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.408 ' HE1' ' CE2' ' A' ' 76' ' ' TRP . 53.3 ttp -56.63 -39.52 73.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 2.77 110.574 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -82.05 -21.49 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 2.3399999999999999 110.758 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -33.5 20.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.356 -0.384 . . . . 1.1799999999999999 111.13 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 ptm -73.06 -26.77 61.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 3.1600000000000001 110.449 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 55.97 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.657 -0.782 . . . . 0.64000000000000001 112.995 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -71.35 -82.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.726 0.298 . . . . 2.5099999999999998 110.903 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -153.39 -83.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 1.9399999999999999 111.2 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 48' ' ' ARG . 12.4 p -146.29 155.72 12.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 2.04 111.352 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.8 ppt_? -149.95 162.15 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 2.8199999999999998 110.989 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -140.78 116.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 2.0499999999999998 111.092 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.442 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.5 p -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.45 111.383 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -114.36 147.68 38.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 2.48 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 1.7 110.873 179.832 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.69 0.281 . . . . 3.4100000000000001 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -147.52 130.49 16.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 2.6499999999999999 110.572 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 13.0 pt-20 -114.12 170.59 8.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.238 0.542 . . . . 2.1899999999999999 111.873 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 2.4 t-105 -117.53 142.85 46.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.406 -0.815 . . . . 4.2400000000000002 110.383 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 29.2 t90 -114.75 132.19 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 3.8399999999999999 110.847 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.96 149.18 39.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.115 -0.493 . . . . 1.1399999999999999 111.091 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 1.71 110.629 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 5' ' ' MET . 4.4 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.519 0.2 . . . . 1.21 111.203 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.427 ' N ' HD13 ' A' ' 4' ' ' LEU . 74.0 mtp -57.05 -36.06 70.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.965 0.412 . . . . 2.9900000000000002 110.767 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.87 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 2.77 110.408 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.84 -36.34 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 2.2599999999999998 110.443 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 76' ' ' TRP . 73.9 ttt180 -49.24 -57.98 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.692 -0.685 . . . . 2.5899999999999999 110.893 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 2.1899999999999999 110.641 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.5 mmt -53.97 -47.0 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 2.4100000000000001 110.928 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.1 mm? -80.4 -27.19 38.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 2.6699999999999999 110.888 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.69 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 1.49 111.15 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.9 mt -103.96 -55.88 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 2.5 110.961 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -62.59 -64.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 2.6400000000000001 111.116 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.04 -100.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 1.53 112.52 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.1 mpt_? -101.56 122.72 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.655 0.264 . . . . 3.3100000000000001 110.786 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 56.5 mtm -160.29 175.38 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 2.6699999999999999 111.206 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 1.0 OUTLIER -119.54 159.99 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 2.7000000000000002 110.561 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.97 -24.37 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 1.25 111.405 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 73' ' ' GLN . 22.1 pttp -59.92 -34.07 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 2.4300000000000002 110.904 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -62.36 -57.54 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 2.4399999999999999 110.786 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.64 -52.1 62.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 2.3500000000000001 110.804 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -53.92 -27.39 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.6799999999999999 110.825 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.72 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 1.3100000000000001 111.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -84.5 -29.86 25.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 4.3399999999999999 110.886 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -103.71 -6.47 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 2.2999999999999998 111.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.3 113.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.941 0.4 . . . . 2.6299999999999999 111.035 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.7 m -163.01 139.44 5.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 1.6000000000000001 110.844 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.76 112.67 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.79000000000000004 112.26 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 78.2 mt-30 -55.24 -46.99 99.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 2.4300000000000002 111.549 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 98.0 Cg_exo -42.73 -37.32 5.69 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.341 2.028 . . . . 0.76000000000000001 112.303 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -80.28 -34.8 36.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 1.2 110.61 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.1 mm -49.89 -53.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 1.2 111.4 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.36 . . . . 1.6399999999999999 110.986 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.13 -28.46 64.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.332 -0.395 . . . . 1.1100000000000001 110.74 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.53 -52.17 54.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 2.2400000000000002 109.984 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 50.4 mt -68.92 -51.75 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.797 -0.638 . . . . 2.0299999999999998 109.708 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.5 tt0 -48.65 -39.45 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.669 -0.696 . . . . 2.3300000000000001 110.914 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.37 -54.57 22.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.7599999999999998 110.519 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -53.51 -39.2 64.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 2.77 110.508 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -85.98 -19.25 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 2.3399999999999999 110.892 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.42 -24.65 3.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.508 -0.315 . . . . 1.1799999999999999 110.982 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 76.8 mtp -87.67 -25.85 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 3.1600000000000001 110.766 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.47 59.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.807 -0.711 . . . . 0.64000000000000001 112.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -75.13 -70.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 2.5099999999999998 110.915 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.44 -90.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.325 . . . . 1.9399999999999999 111.571 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.2 t -144.82 153.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.814 0.34 . . . . 2.04 111.025 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -150.21 162.25 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 2.8199999999999998 111.457 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.8 mt -141.34 113.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 2.0499999999999998 110.747 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.451 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.5 p -89.57 133.37 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 1.45 111.692 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.7 146.87 46.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.596 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.7 111.206 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.815 0.34 . . . . 3.4100000000000001 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 18.8 pt20 -145.91 137.0 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 2.6499999999999999 110.667 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -113.7 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 2.1899999999999999 111.322 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 48.7 m0 -108.81 152.93 24.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 4.2400000000000002 110.813 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 8' ' ' ARG . 7.4 t90 -123.37 114.06 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 3.8399999999999999 110.882 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.29 152.84 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 1.1399999999999999 111.323 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 4.3 mp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.996 -0.547 . . . . 1.71 110.714 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.655 0.264 . . . . 1.21 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.8 tpp -49.94 -44.19 50.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.366 . . . . 2.9900000000000002 111.011 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.39 -63.84 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 2.77 110.907 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 11' ' ' LEU . 14.6 p -60.86 -26.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 2.2599999999999998 110.621 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 72.1 ttt180 -59.71 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 2.5899999999999999 111.067 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.62 -47.2 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 2.1899999999999999 111.026 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 84.9 mmm -47.25 -49.83 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 2.4100000000000001 111.319 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.0 mp -83.16 -38.06 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.363 . . . . 2.6699999999999999 111.179 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -52.54 -23.32 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.367 . . . . 1.49 111.141 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -96.01 -11.46 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 2.5 111.575 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -107.4 -79.39 0.58 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.793 0.33 . . . . 2.6400000000000001 111.254 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.56 -134.2 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.9 -0.667 . . . . 1.53 112.314 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.5 mpt_? -58.14 119.71 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 3.3100000000000001 110.907 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.42 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 68.0 mtp -159.41 172.53 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 2.6699999999999999 110.893 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -126.31 148.97 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.397 . . . . 2.7000000000000002 110.905 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -83.1 -18.89 37.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 1.25 111.612 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -58.66 -39.24 80.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.756 0.312 . . . . 2.4300000000000002 110.749 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.76 -57.69 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 2.4399999999999999 110.722 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.62 -28.69 69.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 2.3500000000000001 110.716 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -71.47 -39.93 70.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 1.6799999999999999 110.855 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.57 87.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 1.3100000000000001 111.143 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.62 -25.17 67.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.381 -0.372 . . . . 4.3399999999999999 110.94 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.4 -4.5 22.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 2.2999999999999998 111.616 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 67.93 25.94 7.6 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 2.6299999999999999 111.024 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.3 m -77.06 138.41 65.15 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 1.6000000000000001 111.14 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.67 114.35 1.73 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.492 2.128 . . . . 0.79000000000000004 112.388 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.2 mt-30 -57.96 -44.98 99.79 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 2.4300000000000002 111.676 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 78.3 Cg_exo -50.68 -33.96 41.89 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.143 1.896 . . . . 0.76000000000000001 112.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.2 110.981 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 50.2 mm -48.46 -32.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.2 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 10.4 t70 -55.82 -36.45 67.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 1.6399999999999999 110.514 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.69 -27.56 37.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.818 -0.628 . . . . 1.1100000000000001 111.032 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.16 -56.46 20.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 2.2400000000000002 110.761 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 4.9 mp -74.74 -41.9 59.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 2.0299999999999998 110.688 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 34' ' ' ASP . 10.6 tp10 -59.83 -44.64 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 2.3300000000000001 110.6 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 71.6 ttt180 -68.42 -57.33 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 3.7599999999999998 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 tpt -49.83 -39.42 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 2.77 110.978 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -87.18 -21.46 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 2.3399999999999999 111.249 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.34 -26.01 4.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.778 0.323 . . . . 1.1799999999999999 111.105 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 68.2 mtm -88.01 -24.27 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 3.1600000000000001 110.817 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.78 58.95 0.54 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.743 -0.741 . . . . 0.64000000000000001 112.376 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -80.92 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 2.5099999999999998 110.676 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -153.41 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.173 -0.467 . . . . 1.9399999999999999 111.42 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 48' ' ' ARG . 61.7 t -148.47 156.77 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 2.04 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' N ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -150.45 150.36 31.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 2.8199999999999998 111.028 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mm -128.06 98.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 2.0499999999999998 110.763 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.422 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 80.7 p -72.55 109.33 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 1.45 111.016 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 75' ' ' TRP . 10.5 tp10 -121.92 158.94 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.625 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 1.7 111.371 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.952 0.406 . . . . 3.4100000000000001 111.065 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -140.61 141.83 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 2.6499999999999999 110.943 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' OE2' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -101.39 171.59 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 2.1899999999999999 110.505 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.482 ' CZ2' ' HG2' ' A' ' 51' ' ' GLU . 19.9 m0 -121.99 122.28 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 4.2400000000000002 110.392 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.467 ' CZ2' ' CG2' ' A' ' 46' ' ' VAL . 53.4 t-105 -76.63 147.58 37.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 3.8399999999999999 111.127 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.52 137.4 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 1.1399999999999999 111.114 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 4.6 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.71 110.888 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 5' ' ' MET . 3.9 pp . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.52 0.2 . . . . 1.21 111.372 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.444 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.1 mtt -55.72 -46.35 77.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.868 0.366 . . . . 2.9900000000000002 110.859 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.17 -64.12 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 2.77 111.152 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.9 m -57.45 -37.73 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 2.2599999999999998 110.368 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -49.62 -53.66 22.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.701 . . . . 2.5899999999999999 110.973 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.98 -46.17 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 2.1899999999999999 110.676 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -52.33 -48.04 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 2.4100000000000001 110.497 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD11 ' CE3' ' A' ' 76' ' ' TRP . 4.1 mm? -61.44 -47.62 84.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 2.6699999999999999 110.713 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.2 51.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.49 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 mt -99.89 -22.31 15.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 2.5 111.139 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -106.91 -73.22 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.915 0.388 . . . . 2.6400000000000001 110.949 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.25 137.98 10.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.637 -0.792 . . . . 1.53 112.992 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 16' ' ' ARG . 8.9 mpt_? 61.8 80.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 3.3100000000000001 111.291 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 60.7 mtt -161.1 175.01 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 2.6699999999999999 111.218 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' CD ' ' CE3' ' A' ' 75' ' ' TRP . 24.9 mt-10 -124.31 153.79 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 2.7000000000000002 110.58 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -82.69 -20.33 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 1.25 111.355 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -53.8 -46.82 71.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 2.4300000000000002 110.892 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -67.1 -57.54 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 2.4399999999999999 110.959 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 2.3500000000000001 111.088 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -63.83 -43.89 94.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 1.6799999999999999 111.074 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.27 98.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.3100000000000001 111.342 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.98 -24.66 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.373 . . . . 4.3399999999999999 111.205 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.26 4.29 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.494 -0.321 . . . . 2.2999999999999998 111.663 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 66.4 99.15 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.751 0.31 . . . . 2.6299999999999999 111.097 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.407 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 67.7 m -163.35 139.07 5.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 1.6000000000000001 111.037 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 79.6 Cg_exo -45.41 114.02 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.483 2.122 . . . . 0.79000000000000004 112.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 27.4 tt0 -57.93 -44.1 99.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 2.4300000000000002 111.499 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 50.6 Cg_exo -54.25 -57.28 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.268 1.978 . . . . 0.76000000000000001 112.241 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.66 -32.02 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.953 0.406 . . . . 1.2 111.043 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 45.8 mm -51.81 -33.02 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.137 -0.483 . . . . 1.2 111.054 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 2.0 p30 -51.33 -36.13 41.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.129 0.49 . . . . 1.6399999999999999 110.362 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -81.04 -28.25 35.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 1.1100000000000001 110.782 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.9 ttm -56.87 -54.07 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 2.2400000000000002 110.452 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 19' ' ' ALA . 8.2 mp -76.89 -43.35 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 2.0299999999999998 110.652 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.23 -40.11 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 2.3300000000000001 110.948 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 41.4 ttm180 -71.41 -57.76 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 3.7599999999999998 111.147 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.484 ' HE1' ' CD1' ' A' ' 76' ' ' TRP . 30.7 ttp -48.72 -40.79 29.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.77 111.164 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.89 -24.1 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 2.3399999999999999 110.769 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.46 -29.48 10.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 1.1799999999999999 111.248 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.38 -27.65 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 3.1600000000000001 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.02 47.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.655 -0.783 . . . . 0.64000000000000001 112.574 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -67.84 -67.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 2.5099999999999998 110.52 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -155.39 -89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.9399999999999999 111.257 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -141.08 138.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.773 0.321 . . . . 2.04 111.204 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -141.3 129.61 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 2.8199999999999998 110.864 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 49' ' ' ILE . 4.5 mp -124.49 117.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 2.0499999999999998 110.967 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 t -76.57 122.58 24.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 1.45 111.043 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -126.14 140.63 52.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 2.48 110.664 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 1.7 111.237 -179.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.812 0.339 . . . . 3.4100000000000001 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -134.69 138.71 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.6499999999999999 110.771 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.05 176.38 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 2.1899999999999999 110.983 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.426 ' CE3' ' CD ' ' A' ' 18' ' ' GLU . 3.8 t-105 -125.89 117.99 24.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 4.2400000000000002 110.263 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.528 ' CZ3' ' CD1' ' A' ' 78' ' ' LEU . 67.5 t90 -98.23 140.76 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 3.8399999999999999 111.147 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.77 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 1.1399999999999999 110.997 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.528 ' CD1' ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mp . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.71 111.114 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 5' ' ' MET . 4.2 pp . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.632 0.253 . . . . 1.21 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.429 ' N ' HD13 ' A' ' 4' ' ' LEU . 24.7 ttt -52.95 -37.17 60.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.824 0.345 . . . . 2.9900000000000002 110.67 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.83 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 2.77 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.425 ' CG2' HD23 ' A' ' 11' ' ' LEU . 7.6 p -60.03 -28.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 2.2599999999999998 110.436 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -56.27 -56.59 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 2.5899999999999999 110.742 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.1 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 2.1899999999999999 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.0 mtt -51.4 -58.46 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 2.4100000000000001 110.696 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' A' ' 7' ' ' VAL . 3.6 mm? -62.16 -37.33 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 2.6699999999999999 110.894 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.19 -25.24 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.49 110.856 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -104.45 -27.85 11.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 2.5 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.4 -72.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 2.6400000000000001 110.992 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.13 -102.49 0.43 Allowed Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.76 -0.733 . . . . 1.53 112.562 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.62 108.33 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 3.3100000000000001 110.831 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.7 mtt -157.25 171.76 19.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 2.6699999999999999 111.153 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' OE2' ' CZ3' ' A' ' 75' ' ' TRP . 13.2 pt-20 -119.37 148.55 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 2.7000000000000002 110.932 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.02 -19.48 60.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.25 111.198 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -46.93 -62.09 1.56 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 2.4300000000000002 111.119 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -62.51 -48.13 80.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 2.4399999999999999 110.675 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.93 -40.03 56.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 2.3500000000000001 111.107 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 27' ' ' GLN . 46.0 t -68.96 -45.03 71.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.6799999999999999 110.961 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.51 90.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 1.3100000000000001 111.172 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -54.54 -39.64 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 4.3399999999999999 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 26' ' ' LEU . 3.0 mm? -104.03 -5.33 22.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 2.2999999999999998 111.552 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' SER . 88.4 mt-30 66.0 104.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 2.6299999999999999 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.437 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 88.9 m -161.77 139.46 6.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.6000000000000001 110.81 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 73.1 Cg_exo -39.86 114.96 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.179 . . . . 0.79000000000000004 112.476 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.6 tp-100 -63.56 -44.62 81.71 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.4300000000000002 111.778 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -47.05 -35.21 18.47 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.248 1.965 . . . . 0.76000000000000001 112.425 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 2.1 tm? -77.29 -41.04 42.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.407 . . . . 1.2 110.606 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.0 mm -47.82 -45.67 11.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 1.2 111.149 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.19 -39.88 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 1.6399999999999999 110.384 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -26.21 55.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 1.1100000000000001 110.654 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.443 ' HE2' ' CD1' ' A' ' 32' ' ' LEU . 47.4 tpp -61.26 -56.33 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 2.2400000000000002 110.189 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.04 -48.4 65.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.645 . . . . 2.0299999999999998 110.589 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 9.5 tp10 -51.44 -39.71 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 2.3300000000000001 110.478 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -67.83 -43.16 80.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.97 -0.559 . . . . 3.7599999999999998 110.432 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 tpt -52.87 -44.92 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 2.77 110.535 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.46 -23.24 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 2.3399999999999999 110.877 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.01 -27.15 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 1.1799999999999999 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.1 mtt -89.25 -24.51 22.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 3.1600000000000001 110.732 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.31 67.07 0.71 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.64000000000000001 112.529 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.76 -86.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.585 0.231 . . . . 2.5099999999999998 110.903 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 47' ' ' VAL . 10.6 m -120.91 -150.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.9399999999999999 110.371 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' N ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -104.36 124.51 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.077 0.465 . . . . 2.04 111.152 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH2' ' OE2' ' A' ' 38' ' ' GLU . 6.6 tmm_? -111.96 138.56 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 2.8199999999999998 110.769 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.1 mm -122.79 112.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 2.0499999999999998 111.153 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 84.7 p -74.78 114.67 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 1.45 110.881 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -118.82 146.04 45.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.43 . . . . 2.48 111.158 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.7 110.928 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.847 0.356 . . . . 3.4100000000000001 111.236 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.74 126.71 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 2.6499999999999999 110.588 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -93.75 -179.67 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.245 0.545 . . . . 2.1899999999999999 111.124 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.467 ' CZ3' ' OE2' ' A' ' 18' ' ' GLU . 2.0 t90 -126.29 124.58 40.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.558 -0.746 . . . . 4.2400000000000002 109.866 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -100.48 120.15 39.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 3.8399999999999999 111.241 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.74 128.72 21.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 1.1399999999999999 110.633 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 7.3 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 1.71 110.958 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 5' ' ' MET . 4.3 pp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.452 0.168 . . . . 1.21 111.432 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.444 ' N ' HD13 ' A' ' 4' ' ' LEU . 81.2 mtp -53.62 -39.66 65.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 2.9900000000000002 110.793 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.4 -63.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.77 110.715 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.96 -31.67 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.531 . . . . 2.2599999999999998 110.333 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 3.8 tmt_? -51.27 -52.49 44.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.581 -0.736 . . . . 2.5899999999999999 110.814 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.06 -45.86 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 2.1899999999999999 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -55.0 -48.58 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 2.4100000000000001 111.068 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mm? -77.16 -33.22 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 2.6699999999999999 111.136 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -66.53 -19.0 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 1.49 111.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -108.37 20.15 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.505 -0.316 . . . . 2.5 111.315 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -131.87 -65.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.806 0.336 . . . . 2.6400000000000001 110.916 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.3 -94.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 1.53 112.607 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 7.2 mpt_? -94.06 91.81 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 3.3100000000000001 110.943 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.413 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 11.8 mmt -154.81 175.32 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 2.6699999999999999 111.063 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 2.7000000000000002 110.803 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -77.04 -16.54 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 1.25 111.502 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.75 -47.04 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 2.4300000000000002 110.991 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -53.33 -58.07 8.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 2.4399999999999999 110.96 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 23' ' ' SER . 4.3 pp -72.85 -19.11 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 2.3500000000000001 111.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.441 ' N ' HD13 ' A' ' 22' ' ' LEU . 47.7 t -70.06 -39.23 75.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 1.6799999999999999 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.56 -39.97 21.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 1.3100000000000001 110.938 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.23 -24.31 67.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 4.3399999999999999 110.87 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.8 -11.3 16.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.238 -0.437 . . . . 2.2999999999999998 111.451 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 61.18 76.49 0.37 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.935 0.398 . . . . 2.6299999999999999 110.958 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -132.55 146.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 1.6000000000000001 111.021 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -46.03 118.86 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.374 2.049 . . . . 0.79000000000000004 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 70.6 mt-30 -69.66 -43.53 21.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 2.4300000000000002 111.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.59 -26.19 8.82 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.381 2.054 . . . . 0.76000000000000001 112.748 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.2 -44.65 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.52 -0.309 . . . . 1.2 110.983 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -47.38 -49.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 1.2 111.281 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.91 -39.81 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.44 -0.346 . . . . 1.6399999999999999 110.707 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.26 -26.36 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 1.1100000000000001 110.634 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.2 ttm -62.68 -47.91 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 2.2400000000000002 110.053 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 3.2 mm? -70.87 -52.97 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 2.0299999999999998 109.986 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' ALA . 46.1 mt-10 -51.11 -38.64 53.04 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 120.933 0.397 . . . . 2.3300000000000001 110.25 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -63.03 -49.4 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 3.7599999999999998 110.615 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.9 tpt -61.11 -43.11 99.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 2.77 110.887 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.19 -17.29 50.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 2.3399999999999999 111.359 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -26.59 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 1.1799999999999999 111.175 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.1 ptm -81.2 -24.6 37.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 3.1600000000000001 110.64 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.78 46.6 0.71 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.817 -0.706 . . . . 0.64000000000000001 112.42 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -61.38 -77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.701 0.286 . . . . 2.5099999999999998 111.165 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 92.6 t -150.57 -84.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 1.9399999999999999 111.613 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.3 t -138.75 152.21 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 2.04 111.441 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -147.78 147.84 30.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.873 -0.603 . . . . 2.8199999999999998 110.356 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.53 113.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 2.0499999999999998 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.455 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 37.6 t -88.32 128.17 35.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.244 0.545 . . . . 1.45 111.551 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -132.08 138.67 48.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.495 -0.775 . . . . 2.48 110.418 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 1.7 111.16 -179.717 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.936 0.398 . . . . 3.4100000000000001 111.085 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.48 136.45 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 2.6499999999999999 110.427 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 22.2 pt-20 -106.47 169.94 8.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.145 0.498 . . . . 2.1899999999999999 111.988 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -107.53 133.24 52.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 4.2400000000000002 110.334 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' LEU . 15.4 t90 -109.59 122.54 47.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.434 -0.348 . . . . 3.8399999999999999 111.154 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.82 140.97 48.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 1.1399999999999999 110.926 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 3.5 mp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.71 111.015 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 5' ' ' MET . 3.9 pp . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.575 0.213 . . . . 1.21 111.575 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.444 ' N ' HD11 ' A' ' 4' ' ' LEU . 93.7 mmm -49.37 -46.34 47.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 2.9900000000000002 111.052 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.45 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 2.77 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.42 -27.72 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 2.2599999999999998 110.383 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -61.23 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 2.5899999999999999 110.315 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.73 -41.2 99.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.407 . . . . 2.1899999999999999 110.135 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.33 -59.54 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 2.4100000000000001 110.596 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 3.8 mm? -70.33 -34.36 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 2.6699999999999999 110.719 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.63 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.49 110.745 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.85 -36.31 18.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 2.5 110.289 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -105.09 107.47 18.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.781 -0.645 . . . . 2.6400000000000001 110.81 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.27 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 1.53 113.113 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 9.6 mpt_? -73.73 104.82 4.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.869 0.366 . . . . 3.3100000000000001 111.574 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.429 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 33.4 mtp -165.21 157.36 15.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 2.6699999999999999 110.921 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 37.9 mt-10 -108.53 159.19 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 2.7000000000000002 110.812 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.82 -20.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 1.25 111.42 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' NZ ' ' OE1' ' A' ' 21' ' ' GLN . 21.4 pttp -60.28 -46.56 89.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.786 0.327 . . . . 2.4300000000000002 110.944 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 15.4 mm100 -51.15 -55.63 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 2.4399999999999999 111.183 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 23' ' ' SER . 4.3 pp -72.25 -29.05 63.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 2.3500000000000001 111.212 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.414 ' N ' HD12 ' A' ' 22' ' ' LEU . 67.3 m -75.64 -29.05 59.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 1.6799999999999999 110.916 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.89 35.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 1.3100000000000001 111.064 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.88 -12.44 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 4.3399999999999999 111.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -118.2 9.96 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.504 0.193 . . . . 2.2999999999999998 111.497 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 52.55 94.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 2.6299999999999999 110.674 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.402 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -148.63 139.98 14.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 1.6000000000000001 111.021 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 72.9 Cg_exo -48.94 116.49 2.21 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.467 2.111 . . . . 0.79000000000000004 112.304 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 52.6 mt-30 -59.93 -44.98 98.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 2.4300000000000002 111.522 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 86.4 Cg_exo -45.69 -54.71 4.22 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.268 1.978 . . . . 0.76000000000000001 112.17 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -53.89 -42.19 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 1.2 110.717 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.2 mm -47.66 -48.85 10.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.455 . . . . 1.2 111.302 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -52.56 -42.92 64.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 1.6399999999999999 110.575 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.98 46.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 1.1100000000000001 111.336 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.42 -52.04 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.007 0.432 . . . . 2.2400000000000002 110.651 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 74' ' ' GLU . 80.1 mt -74.02 -49.44 24.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.901 -0.591 . . . . 2.0299999999999998 110.535 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.65 -43.87 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 2.3300000000000001 110.895 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.77 -48.01 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 3.7599999999999998 111.051 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -55.36 -47.22 76.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 2.77 110.618 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 2.3399999999999999 110.702 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.53 -24.82 3.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.841 0.353 . . . . 1.1799999999999999 111.079 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.74 -27.27 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 3.1600000000000001 110.576 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.55 57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.85 -0.69 . . . . 0.64000000000000001 112.529 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -68.92 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.631 0.253 . . . . 2.5099999999999998 110.929 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -153.79 -70.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.557 -0.292 . . . . 1.9399999999999999 111.247 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.06 129.65 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 2.04 111.094 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -137.47 120.86 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 2.8199999999999998 110.735 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' TRP . 41.9 mm -116.66 116.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 2.0499999999999998 111.174 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.8 p -75.46 123.98 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 1.45 110.853 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.57 129.67 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 2.48 111.006 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 1.7 110.998 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.221 0.534 . . . . 3.4100000000000001 111.667 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.17 110.11 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.43 -0.804 . . . . 2.6499999999999999 110.0 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.69 173.64 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.086 0.469 . . . . 2.1899999999999999 111.43 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.508 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.9 t90 -124.15 124.94 43.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.557 -0.747 . . . . 4.2400000000000002 109.986 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 11.3 t90 -102.17 126.3 49.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 3.8399999999999999 111.048 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.47 141.0 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 1.1399999999999999 111.079 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 4.0 mp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.71 110.84 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 5' ' ' MET . 4.5 pp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.611 0.243 . . . . 1.21 111.212 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.425 ' N ' HD13 ' A' ' 4' ' ' LEU . 91.2 mmm -50.94 -44.67 60.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.004 0.431 . . . . 2.9900000000000002 110.629 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.65 -57.74 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 2.77 110.429 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.429 HG21 ' CD2' ' A' ' 22' ' ' LEU . 47.3 t -58.94 -37.64 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 2.2599999999999998 110.474 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -48.84 -61.31 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 2.5899999999999999 111.083 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.38 -46.95 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 2.1899999999999999 110.387 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -51.51 -60.8 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 2.4100000000000001 110.69 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 76' ' ' TRP . 68.8 mt -57.82 -38.69 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 2.6699999999999999 110.758 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.68 -28.46 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 1.49 111.061 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.0 mt -104.54 22.08 15.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 2.5 111.254 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.05 -68.45 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 2.6400000000000001 110.845 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.84 -134.21 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 1.53 112.528 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.84 102.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 3.3100000000000001 110.845 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 76.3 mtp -159.7 163.31 34.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.227 -0.442 . . . . 2.6699999999999999 111.203 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 35.3 mt-10 -106.1 156.33 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 2.7000000000000002 110.562 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' HE2' ' A' ' 36' ' ' MET . . . -81.93 -20.83 37.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 1.25 111.023 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -52.23 -31.08 30.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 2.4300000000000002 110.769 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -64.17 -58.38 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 2.4399999999999999 111.094 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 23' ' ' SER . 3.8 pp -65.81 -19.57 65.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 2.3500000000000001 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' HD13 ' A' ' 22' ' ' LEU . 41.0 t -73.96 -44.87 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 1.6799999999999999 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.07 56.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 1.3100000000000001 111.087 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -67.51 -31.78 72.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 4.3399999999999999 111.112 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 26' ' ' LEU . 2.8 mm? -120.47 12.64 11.64 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.346 -0.388 . . . . 2.2999999999999998 111.458 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 61.21 104.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 2.6299999999999999 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -156.89 138.11 9.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 1.6000000000000001 110.894 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.97 134.33 28.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.125 . . . . 0.79000000000000004 112.263 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 16.1 mm-40 -77.28 -44.67 2.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 2.4300000000000002 111.456 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.35 -41.08 36.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.186 1.924 . . . . 0.76000000000000001 112.138 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.72 -44.37 96.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 1.2 110.664 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.8 mm -48.1 -43.04 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 1.2 111.191 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.6 t70 -50.56 -39.07 48.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.071 0.463 . . . . 1.6399999999999999 110.887 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.21 -26.81 38.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 1.1100000000000001 111.246 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.419 ' HE2' ' CB ' ' A' ' 19' ' ' ALA . 43.9 ttp -63.23 -53.89 45.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 2.2400000000000002 110.729 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.3 mp -74.2 -41.54 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 2.0299999999999998 110.46 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.92 -46.87 88.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 2.3300000000000001 110.667 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 37.5 ttm180 -65.55 -42.64 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 3.7599999999999998 110.735 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.493 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 24.5 ttt -56.33 -47.67 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.77 110.696 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.4 tm-20 -76.31 -21.58 56.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 2.3399999999999999 110.726 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.23 -25.39 3.61 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.845 0.355 . . . . 1.1799999999999999 110.849 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 82.7 mtp -84.42 -27.69 27.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 3.1600000000000001 110.607 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.45 50.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.89 -0.672 . . . . 0.64000000000000001 112.602 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -68.17 -76.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.626 0.25 . . . . 2.5099999999999998 110.831 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -151.39 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 1.9399999999999999 111.156 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.3 145.89 16.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 2.04 111.499 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -145.88 158.87 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 2.8199999999999998 110.676 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.437 HD11 ' N ' ' A' ' 49' ' ' ILE . 4.2 mp -131.8 113.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.343 . . . . 2.0499999999999998 111.429 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.7 p -77.75 119.13 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 1.45 110.675 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -119.0 132.6 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 2.48 111.05 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 1.7 110.935 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.819 0.343 . . . . 3.4100000000000001 111.113 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.33 133.65 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.6499999999999999 110.728 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -92.53 176.46 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.088 0.47 . . . . 2.1899999999999999 110.827 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.481 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.8 t90 -119.84 129.09 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 4.2400000000000002 109.787 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.493 ' CH2' ' HG2' ' A' ' 40' ' ' MET . 60.6 t-105 -102.42 140.12 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 3.8399999999999999 111.037 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.99 134.82 9.85 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.115 -0.493 . . . . 1.1399999999999999 111.191 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 3.2 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 1.71 110.888 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.665 0.269 . . . . 1.21 111.352 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.441 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.0 ptt? -56.32 -28.51 59.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 2.9900000000000002 110.816 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.22 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 2.77 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.71 -33.56 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 2.2599999999999998 110.548 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -50.9 -58.31 6.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.634 . . . . 2.5899999999999999 110.837 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.19 -44.48 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 2.1899999999999999 111.029 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 mmt -49.14 -47.34 45.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 2.4100000000000001 111.128 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.51 -33.2 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 2.6699999999999999 110.859 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -36.58 62.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 1.49 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.72 -55.42 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 2.5 111.014 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.2 -66.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 2.6400000000000001 110.959 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.32 166.01 20.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 1.53 112.599 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 7.6 mpt_? 56.88 69.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 3.3100000000000001 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.3 mtt -160.19 175.15 13.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 2.6699999999999999 111.124 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 30.7 mt-10 -115.04 158.2 22.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 2.7000000000000002 110.649 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' CB ' HD13 ' A' ' 37' ' ' LEU . . . -83.27 -17.62 41.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 1.25 111.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.1 -43.32 87.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 2.4300000000000002 110.73 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -51.53 -58.39 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 2.4399999999999999 110.545 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 23' ' ' SER . 4.1 pp -65.29 -19.64 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 2.3500000000000001 110.685 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.455 ' N ' HD12 ' A' ' 22' ' ' LEU . 48.3 t -76.45 -30.4 57.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.367 -0.378 . . . . 1.6799999999999999 110.699 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -38.08 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.3100000000000001 110.937 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.28 -36.5 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 4.3399999999999999 110.578 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 26' ' ' LEU . 3.5 mm? -105.2 -17.2 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 2.2999999999999998 111.363 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' SER . 24.8 mt-30 66.11 89.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 2.6299999999999999 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -134.21 146.21 58.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 1.6000000000000001 110.8 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -40.31 106.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.583 2.189 . . . . 0.79000000000000004 112.453 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 51.8 mt-30 -53.64 -44.34 97.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 2.4300000000000002 111.731 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -45.7 -29.29 5.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.163 1.909 . . . . 0.76000000000000001 112.062 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.91 -39.57 34.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.51 . . . . 1.2 110.479 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 HG22 ' CB ' ' A' ' 19' ' ' ALA . 49.5 mm -50.46 -53.92 10.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.157 -0.474 . . . . 1.2 110.721 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.3 t70 -53.22 -30.96 40.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.948 -0.569 . . . . 1.6399999999999999 110.11 179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -25.1 37.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.494 -0.776 . . . . 1.1100000000000001 110.755 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.2 mtt -64.98 -50.62 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 2.2400000000000002 110.497 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.4 mp -77.33 -44.49 29.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.973 -0.558 . . . . 2.0299999999999998 110.84 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.51 -42.06 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 2.3300000000000001 110.682 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' HB2' ' A' ' 42' ' ' ALA . 3.9 mmp_? -70.29 -48.59 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 3.7599999999999998 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.439 ' SD ' ' CE2' ' A' ' 76' ' ' TRP . 37.9 ttm -49.63 -45.45 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.543 . . . . 2.77 110.937 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -86.35 -19.78 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 2.3399999999999999 111.027 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . -50.4 -25.22 3.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 1.1799999999999999 111.048 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 ptm -93.3 -26.18 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 3.1600000000000001 110.671 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.78 60.25 0.37 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.902 -0.666 . . . . 0.64000000000000001 112.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -76.53 -75.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.524 0.202 . . . . 2.5099999999999998 110.772 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.8 t -152.3 -90.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.834 -0.166 . . . . 1.9399999999999999 111.332 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.3 p -140.66 136.57 35.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.774 0.321 . . . . 2.04 111.205 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 7.0 ppt_? -135.45 161.97 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.8199999999999998 111.122 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.2 mt -143.54 107.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 2.0499999999999998 111.155 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 79.6 p -76.64 124.41 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 1.45 110.959 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.07 143.01 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 2.48 110.986 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 1.7 111.028 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 85.2 mtm180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 3.4100000000000001 111.14 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -147.62 116.09 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 2.6499999999999999 110.669 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' OE2' ' CB ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -96.85 179.0 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 2.1899999999999999 111.049 -179.627 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.442 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.8 t90 -126.51 118.38 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 4.2400000000000002 110.041 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.477 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 55.5 t90 -99.12 131.0 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 3.8399999999999999 110.799 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.41 146.91 31.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.592 . . . . 1.1399999999999999 110.962 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 HD13 ' CZ3' ' A' ' 76' ' ' TRP . 2.8 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 1.71 110.722 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mmm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.664 0.269 . . . . 4.2000000000000002 110.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.25 110.19 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 1.8700000000000001 111.169 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -93.4 170.7 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 2.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 5' ' ' MET . 4.3 pp -65.8 -15.85 63.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 1.21 111.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.44 ' N ' HD13 ' A' ' 4' ' ' LEU . 59.0 mtm -56.88 -27.49 60.61 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.869 0.366 . . . . 2.9900000000000002 110.76 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 2.77 110.751 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.431 HG23 ' CE ' ' A' ' 36' ' ' MET . 64.3 t -58.82 -29.97 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.089 0.471 . . . . 2.2599999999999998 110.421 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -56.42 -54.67 42.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 2.5899999999999999 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -48.21 76.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 2.1899999999999999 110.817 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.6 mmt -50.69 -48.41 58.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 2.4100000000000001 110.743 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -74.69 -25.06 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 2.6699999999999999 110.903 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.34 65.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.49 111.093 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.1 mt -105.1 -28.34 11.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 2.5 111.133 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.49 -68.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 2.6400000000000001 111.066 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.72 -116.45 3.11 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.598 -0.81 . . . . 1.53 112.543 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.54 101.41 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 3.3100000000000001 110.905 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 mmt -152.53 169.87 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 2.6699999999999999 111.073 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 10.5 pt-20 -113.97 144.67 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 2.7000000000000002 110.783 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -79.81 -29.7 40.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 1.25 111.274 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -55.49 -32.45 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 2.4300000000000002 110.629 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.01 -49.47 77.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.982 -0.554 . . . . 2.4399999999999999 110.774 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -64.68 -53.02 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 2.3500000000000001 110.766 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -53.42 -41.24 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.6799999999999999 110.979 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.92 87.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 1.3100000000000001 110.975 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -58.99 -18.07 30.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 4.3399999999999999 111.265 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.94 8.44 14.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.721 -0.218 . . . . 2.2999999999999998 111.471 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 60.47 20.55 10.25 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.677 0.275 . . . . 2.6299999999999999 111.171 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.4 m -73.91 137.89 76.36 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.446 -0.343 . . . . 1.6000000000000001 110.996 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.29 129.11 10.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.396 2.064 . . . . 0.79000000000000004 112.188 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 96.5 mt-30 -77.73 -44.6 2.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 2.4300000000000002 111.467 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 74.3 Cg_exo -50.32 -30.9 27.92 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.136 1.89 . . . . 0.76000000000000001 112.196 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -72.29 -43.8 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 1.2 110.627 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 50.6 mm -48.75 -42.18 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 1.2 111.113 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' OD2' ' NE ' ' A' ' 72' ' ' ARG . 27.3 t70 -49.74 -41.64 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 1.6399999999999999 110.504 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.13 -26.53 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 1.1100000000000001 110.611 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.431 ' CE ' HG23 ' A' ' 7' ' ' VAL . 25.1 ttt -58.5 -56.5 21.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.885 -0.598 . . . . 2.2400000000000002 110.243 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -73.28 -45.84 53.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.934 -0.575 . . . . 2.0299999999999998 110.34 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.49 -45.79 66.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.955 0.407 . . . . 2.3300000000000001 110.186 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -67.82 -36.99 81.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.592 . . . . 3.7599999999999998 110.483 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.471 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 42.8 ttm -63.69 -49.76 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 2.77 110.634 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 30.3 tt0 -76.98 -17.54 58.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 2.3399999999999999 111.091 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.93 -25.82 3.6 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.618 -0.265 . . . . 1.1799999999999999 111.428 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.0 ptp -86.11 -26.93 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 3.1600000000000001 110.594 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.34 60.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.64000000000000001 112.711 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -78.29 -80.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.61 0.243 . . . . 2.5099999999999998 111.063 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 79' ' ' ARG . 51.3 t -153.83 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.743 0.275 . . . . 1.9399999999999999 111.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG21 HG13 ' A' ' 46' ' ' VAL . 94.2 t -146.96 152.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.039 0.447 . . . . 2.04 111.425 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -147.36 136.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 2.8199999999999998 110.614 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.27 108.12 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 2.0499999999999998 111.247 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.442 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.8 p -91.19 134.34 34.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 1.45 111.13 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -137.42 145.61 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.538 . . . . 2.48 110.824 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -124.32 151.12 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 1.7 111.271 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.8 p -137.41 125.72 23.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 2.6699999999999999 110.825 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -149.36 -177.96 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 5.4299999999999997 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.4 47.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 4.9100000000000001 112.606 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 50.9 t -133.02 -67.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 6.9000000000000004 110.841 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 57' ' ' LEU . 6.2 mp -73.65 121.86 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 7.2800000000000002 110.957 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -83.82 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 8.3399999999999999 110.771 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.24 -55.86 16.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.864 -0.684 . . . . 7.8399999999999999 112.293 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -95.83 100.93 12.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 7.0700000000000003 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -142.02 -50.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 6.6299999999999999 110.923 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -100.96 -52.6 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 7.2000000000000002 110.882 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.9 t -78.02 141.08 39.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 6.0300000000000002 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -109.38 95.1 17.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 5.9500000000000002 110.838 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.92 -35.88 6.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.575 2.184 . . . . 7.4800000000000004 112.433 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.46 -48.83 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 7.0599999999999996 111.052 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.02 -44.38 1.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 6.0 112.451 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.32 145.17 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 7.4900000000000002 110.79 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.79 141.99 24.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 5.2599999999999998 111.073 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.98 121.08 26.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 2.7999999999999998 111.15 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 62.1 m 64.48 101.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 2.79 110.945 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' OD2' ' A' ' 34' ' ' ASP . 29.5 ptt180 -143.86 161.97 37.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 3.4100000000000001 111.094 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -150.41 139.07 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 2.6499999999999999 110.694 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.4 pt-20 -116.3 172.53 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.002 0.429 . . . . 2.1899999999999999 111.432 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.463 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 6.1 m0 -116.83 156.51 27.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.86 -0.609 . . . . 4.2400000000000002 110.4 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.471 ' CH2' ' HG2' ' A' ' 40' ' ' MET . 60.0 t-105 -108.5 134.93 50.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.499 -0.318 . . . . 3.8399999999999999 110.75 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.81 145.45 28.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.981 0.419 . . . . 1.1399999999999999 111.643 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.434 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 4.6 mp -109.58 -174.3 2.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.71 110.737 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.452 ' N ' HG12 ' A' ' 46' ' ' VAL . 19.6 tpp180 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.328 -0.844 . . . . 5.5899999999999999 110.935 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.899 0.381 . . . . 4.2000000000000002 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.03 101.17 4.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.8700000000000001 111.047 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -93.1 -179.34 5.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 2.0 110.924 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 5' ' ' MET . 4.4 pp -77.4 -18.34 57.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 1.21 111.247 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.438 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtm -52.54 -36.65 56.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 2.9900000000000002 110.734 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.85 -63.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 2.77 110.677 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.11 -32.89 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.209 0.528 . . . . 2.2599999999999998 110.235 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.34 -49.15 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.532 -0.758 . . . . 2.5899999999999999 110.857 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.24 -45.75 86.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.5 . . . . 2.1899999999999999 110.793 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.2 mmt -51.6 -61.07 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 2.4100000000000001 110.744 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.14 -47.53 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 2.6699999999999999 110.772 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -24.48 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 1.49 111.199 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.7 mt -106.29 -26.24 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 2.5 111.043 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.63 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 2.6400000000000001 111.226 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.48 -112.1 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.833 -0.698 . . . . 1.53 112.548 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 4.5 mpt_? -110.36 121.71 45.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.589 0.233 . . . . 3.3100000000000001 110.64 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.484 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 80.9 mtp -159.89 175.35 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 2.6699999999999999 111.175 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 75' ' ' TRP . 1.1 pm0 -107.73 147.15 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 2.7000000000000002 110.801 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 -22.24 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 1.25 111.618 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -49.96 -40.13 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 2.4300000000000002 110.914 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -66.9 -51.22 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 2.4399999999999999 110.609 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.8 -44.77 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 2.3500000000000001 110.646 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.4 p -60.01 -38.28 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 1.6799999999999999 110.712 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.3100000000000001 111.052 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -54.55 -30.98 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 4.3399999999999999 110.739 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.28 12.71 11.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 2.2999999999999998 111.315 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 57.04 109.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.824 0.345 . . . . 2.6299999999999999 110.952 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.3 m -157.38 138.04 9.22 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 1.6000000000000001 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -48.39 108.48 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.516 2.144 . . . . 0.79000000000000004 112.42 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 47.6 mt-30 -53.75 -45.11 98.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.4300000000000002 111.423 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -45.02 -40.64 15.52 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.186 1.924 . . . . 0.76000000000000001 112.159 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -72.91 -39.92 65.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.928 -0.578 . . . . 1.2 110.68 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.4 mm -48.12 -56.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 1.2 111.268 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -52.56 -47.43 66.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.6399999999999999 110.674 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.12 -26.57 64.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 1.1100000000000001 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.3 ttp -64.05 -54.78 28.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.052 -0.522 . . . . 2.2400000000000002 110.068 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 50.8 mt -65.73 -51.9 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.564 -0.744 . . . . 2.0299999999999998 110.23 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' ALA . 36.9 tt0 -49.7 -43.67 47.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 2.3300000000000001 110.872 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -63.49 -44.77 93.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 3.7599999999999998 110.667 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ttt -58.06 -42.22 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 2.77 110.741 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.2 tm-20 -84.65 -23.04 29.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 2.3399999999999999 110.688 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.64 -25.13 3.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 1.1799999999999999 110.826 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.22 -24.32 30.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 3.1600000000000001 110.612 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 116.19 60.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.896 -0.668 . . . . 0.64000000000000001 112.378 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -85.64 -71.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 2.5099999999999998 110.813 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -156.04 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.514 -0.312 . . . . 1.9399999999999999 111.405 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 48' ' ' ARG . 7.1 p -150.02 154.49 8.99 Favored 'Isoleucine or valine' 0 C--O 1.23 0.05 0 CA-C-O 120.861 0.362 . . . . 2.04 111.071 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' N ' HG23 ' A' ' 47' ' ' VAL . 1.9 ppt_? -149.38 162.56 39.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 2.8199999999999998 111.433 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -133.98 112.25 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 2.0499999999999998 110.564 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.6 p -86.6 127.68 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.059 0.457 . . . . 1.45 111.704 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.17 153.68 49.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.685 . . . . 2.48 110.607 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -107.26 166.85 10.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.418 -0.355 . . . . 1.7 111.273 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.2 p -66.77 129.35 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 2.6699999999999999 111.058 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -151.43 114.1 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 5.4299999999999997 110.831 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 132.81 -31.65 2.9 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.66 -0.781 . . . . 4.9100000000000001 112.58 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.97 -61.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 6.9000000000000004 111.084 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' N ' HD11 ' A' ' 57' ' ' LEU . 5.9 mp -80.08 141.55 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 7.2800000000000002 110.909 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -99.96 -28.23 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 8.3399999999999999 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.73 -84.02 0.12 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 7.8399999999999999 112.446 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 t -87.09 125.13 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 7.0700000000000003 110.762 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.4 m -127.05 -72.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 6.6299999999999999 110.889 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -99.83 -46.5 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 7.2000000000000002 110.763 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.2 p -155.24 123.22 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 6.0300000000000002 110.881 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.4 t -135.69 137.74 26.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 5.9500000000000002 110.857 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.73 -57.36 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 7.4800000000000004 112.445 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.42 -40.93 76.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 7.0599999999999996 111.07 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.35 86.42 0.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 6.0 112.417 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.69 110.7 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 7.4900000000000002 110.863 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 54.16 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 5.2599999999999998 111.176 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.36 125.21 5.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 2.7999999999999998 111.258 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 82.5 m -148.91 123.63 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 2.79 110.689 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -138.05 141.79 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 3.4100000000000001 111.199 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.03 141.37 25.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 2.6499999999999999 110.502 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 11.7 pt-20 -116.4 172.24 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 2.1899999999999999 111.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.484 ' CZ2' ' HA ' ' A' ' 17' ' ' MET . 2.4 t-105 -103.38 139.8 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.924 -0.58 . . . . 4.2400000000000002 110.733 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.44 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 48.0 t90 -112.43 121.67 45.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 3.8399999999999999 110.571 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . . . -152.24 164.81 36.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 1.1399999999999999 111.511 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.445 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 3.1 mp -98.86 175.12 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 1.71 110.952 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.123 -0.941 . . . . 5.5899999999999999 110.903 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.834 0.349 . . . . 4.2000000000000002 110.83 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.42 136.47 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 1.8700000000000001 111.206 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -139.15 153.8 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 2.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 5' ' ' MET . 4.5 pp -63.57 -23.64 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 1.21 111.033 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.424 ' N ' HD11 ' A' ' 4' ' ' LEU . 25.3 mmt -56.33 -39.18 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 2.9900000000000002 111.01 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.94 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 2.77 111.029 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.1 m -62.52 -28.33 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 2.2599999999999998 110.745 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -54.17 -60.28 3.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 2.5899999999999999 110.851 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.41 -48.67 64.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 2.1899999999999999 111.209 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 89.6 mmm -45.45 -49.73 13.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 2.4100000000000001 111.475 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 11' ' ' LEU . 8.5 mp -81.83 -33.06 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.37 . . . . 2.6699999999999999 111.076 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.54 -27.42 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 1.49 110.927 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.63 -23.95 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.571 . . . . 2.5 111.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -117.22 -71.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 2.6400000000000001 111.04 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 107.07 153.13 19.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 1.53 112.293 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.93 86.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 3.3100000000000001 110.817 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.0 mtp -158.27 175.05 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 2.6699999999999999 110.662 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' CB ' ' CD1' ' A' ' 75' ' ' TRP . 0.8 OUTLIER -120.71 132.87 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 2.7000000000000002 110.792 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -17.72 63.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 1.25 111.623 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HE2' ' NE2' ' A' ' 73' ' ' GLN . 14.9 ptmm? -51.51 -43.21 62.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 2.4300000000000002 110.849 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.04 -52.91 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 2.4399999999999999 110.857 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.1 mt -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 2.3500000000000001 110.969 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -66.06 -31.97 73.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.6799999999999999 110.624 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -32.9 26.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 1.3100000000000001 110.955 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.3 -26.22 62.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 4.3399999999999999 110.703 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -122.46 12.73 10.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 2.2999999999999998 111.285 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 58.75 111.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.878 0.37 . . . . 2.6299999999999999 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.3 m -159.19 139.31 8.79 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 1.6000000000000001 111.031 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -48.81 135.51 28.42 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.571 2.181 . . . . 0.79000000000000004 112.158 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 67.7 mt-30 -72.5 -43.75 9.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 2.4300000000000002 111.822 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.5 Cg_exo -58.4 -17.22 32.65 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.117 1.878 . . . . 0.76000000000000001 112.405 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -87.49 -49.56 7.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 1.2 111.117 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.96 -47.45 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.2 111.528 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -50.0 -36.72 29.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.359 . . . . 1.6399999999999999 110.841 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.81 -26.72 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 1.1100000000000001 110.563 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.75 -57.39 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 2.2400000000000002 110.102 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 4.4 mp -70.18 -47.42 61.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.763 -0.653 . . . . 2.0299999999999998 109.991 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.1 -42.89 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.067 0.46 . . . . 2.3300000000000001 109.953 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -60.22 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 3.7599999999999998 110.081 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.4 ttm -61.13 -28.11 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 2.77 110.105 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -86.97 -21.73 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.857 -0.61 . . . . 2.3399999999999999 110.618 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.76 -24.77 3.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.311 -0.404 . . . . 1.1799999999999999 110.804 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.5 ptm -93.58 -24.61 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 3.1600000000000001 110.6 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.18 59.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.64000000000000001 112.452 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -75.45 -61.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 2.5099999999999998 110.802 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.424 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.41 -93.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 1.9399999999999999 111.565 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.15 149.92 13.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 2.04 111.118 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -133.88 160.54 37.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 2.8199999999999998 111.118 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.58 97.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 2.0499999999999998 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 89.8 p -81.88 117.91 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.45 111.22 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -129.32 153.54 47.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 2.48 111.006 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -126.84 149.07 49.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.7 111.082 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -89.38 118.11 28.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 2.6699999999999999 110.996 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -102.34 -40.24 6.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 5.4299999999999997 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.87 -93.64 0.19 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 4.9100000000000001 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -57.76 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.349 . . . . 6.9000000000000004 110.668 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp 59.46 109.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.031 -0.532 . . . . 7.2800000000000002 111.122 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -96.81 22.39 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 8.3399999999999999 111.022 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 22.78 49.87 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.714 -0.755 . . . . 7.8399999999999999 112.589 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' LYS . 51.7 m -62.73 -35.6 80.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 7.0700000000000003 110.88 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.5 t 63.68 -76.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 6.6299999999999999 110.98 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' SER . 65.1 tttp -88.77 129.42 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 7.2000000000000002 111.025 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -123.51 170.59 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 6.0300000000000002 110.83 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.23 158.4 86.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 5.9500000000000002 110.94 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.37 -25.45 78.5 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.634 2.223 . . . . 7.4800000000000004 112.115 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 68.31 -62.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 7.0599999999999996 110.907 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.05 -32.18 3.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.674 -0.774 . . . . 6.0 112.518 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -101.96 140.95 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 7.4900000000000002 110.977 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.45 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 5.2599999999999998 111.173 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.3 160.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 2.7999999999999998 111.209 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.6 p -51.55 110.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 2.79 110.72 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -139.97 142.73 36.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 3.4100000000000001 111.239 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 11.3 pt20 -142.43 130.33 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 2.6499999999999999 110.433 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -103.36 172.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 2.1899999999999999 111.621 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.416 ' CD1' ' CB ' ' A' ' 18' ' ' GLU . 5.1 m0 -114.75 145.92 41.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 4.2400000000000002 110.446 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 17.2 t90 -101.02 129.47 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.466 -0.334 . . . . 3.8399999999999999 110.798 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.04 146.2 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.1399999999999999 111.267 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD13 ' CZ3' ' A' ' 76' ' ' TRP . 2.6 mp -105.07 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.0 -0.546 . . . . 1.71 110.834 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 5.5899999999999999 110.802 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.791 0.329 . . . . 4.2000000000000002 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.96 122.97 2.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 1.8700000000000001 111.084 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -99.01 176.31 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 2.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 5' ' ' MET . 4.1 pp -71.01 -15.62 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 1.21 111.429 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.445 ' N ' HD11 ' A' ' 4' ' ' LEU . 70.0 mtm -56.92 -43.6 81.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 2.9900000000000002 111.143 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.05 -63.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 2.77 111.201 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.58 -26.61 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 2.2599999999999998 110.851 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.83 -58.67 7.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 2.5899999999999999 110.804 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.56 -51.76 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 2.1899999999999999 111.516 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -45.2 -48.42 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.394 . . . . 2.4100000000000001 111.62 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 11' ' ' LEU . 8.3 mp -81.68 -35.51 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 2.6699999999999999 111.292 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.75 -23.37 29.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.438 -0.346 . . . . 1.49 111.284 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.21 -23.32 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 2.5 111.099 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -112.5 -66.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 2.6400000000000001 111.06 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.89 -115.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 1.53 112.522 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.6 mpt_? -53.06 108.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 3.3100000000000001 110.859 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.401 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 81.1 mtp -159.12 175.08 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.6699999999999999 110.915 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.3 pt-20 -138.81 144.74 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 2.7000000000000002 111.056 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -79.85 -18.84 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 1.25 111.512 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' NZ ' ' OE1' ' A' ' 73' ' ' GLN . 59.8 tttp -47.14 -42.11 18.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 2.4300000000000002 111.464 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.76 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.335 -0.393 . . . . 2.4399999999999999 111.089 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 23' ' ' SER . 4.2 pp -67.55 -19.4 65.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 2.3500000000000001 111.488 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.44 ' N ' HD11 ' A' ' 22' ' ' LEU . 97.8 p -71.26 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.66 0.267 . . . . 1.6799999999999999 110.783 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -23.55 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 1.3100000000000001 111.153 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -56.94 -29.22 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 4.3399999999999999 111.128 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.44 12.6 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.381 . . . . 2.2999999999999998 111.437 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 63.42 17.67 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.564 0.221 . . . . 2.6299999999999999 111.195 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.413 HG21 ' HD2' ' A' ' 29' ' ' PRO . 63.6 m -65.3 138.84 97.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.705 -0.225 . . . . 1.6000000000000001 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' HG21 ' A' ' 28' ' ' THR . 88.7 Cg_exo -46.15 121.24 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.465 2.11 . . . . 0.79000000000000004 112.361 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 89.7 mt-30 -71.75 -44.03 11.72 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.051 -0.522 . . . . 2.4300000000000002 111.643 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 58.8 Cg_exo -50.72 -26.06 16.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.176 1.917 . . . . 0.76000000000000001 112.176 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.4 -40.94 18.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 1.2 110.514 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -47.77 -49.18 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 1.2 111.244 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 14.6 t70 -56.86 -42.93 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.6399999999999999 110.82 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.62 -27.43 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 1.1100000000000001 110.652 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.8 ttp -66.08 -53.1 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 2.2400000000000002 110.02 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 45.7 mt -62.24 -55.6 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 2.0299999999999998 110.097 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.9 tt0 -53.83 -38.71 64.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 2.3300000000000001 110.303 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -55.03 -52.74 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 3.7599999999999998 110.589 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.1 tpt -57.28 -45.42 84.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.279 -0.418 . . . . 2.77 110.556 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.0 tm-20 -72.21 -22.45 61.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 2.3399999999999999 110.775 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.45 -24.84 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.842 0.354 . . . . 1.1799999999999999 110.863 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.3 mtm -85.53 -26.89 25.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 3.1600000000000001 110.5 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.67 63.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.817 -0.706 . . . . 0.64000000000000001 112.885 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -88.0 -84.91 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.586 0.232 . . . . 2.5099999999999998 111.019 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -143.18 -90.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 1.9399999999999999 111.278 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 m -154.09 164.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 121.035 0.445 . . . . 2.04 111.548 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -150.5 161.98 41.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 2.8199999999999998 110.576 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.7 105.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 2.0499999999999998 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.4 p -89.06 123.3 33.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 1.45 111.433 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.66 155.2 50.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.045 -0.525 . . . . 2.48 110.91 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.7 t -93.27 127.87 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 1.7 111.06 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.2 p -89.07 102.67 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 2.6699999999999999 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.38 115.64 28.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 5.4299999999999997 110.959 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 43.27 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 4.9100000000000001 112.528 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.4 t -162.72 -64.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 6.9000000000000004 110.916 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.2 mp -77.32 117.27 18.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.248 -0.433 . . . . 7.2800000000000002 110.87 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.3 m -85.7 -25.76 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 8.3399999999999999 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.91 -32.65 44.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 7.8399999999999999 112.44 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t 57.73 174.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 7.0700000000000003 110.943 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -152.31 176.15 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 6.6299999999999999 110.821 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -103.83 -62.12 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 7.2000000000000002 110.963 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p -78.19 136.93 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 6.0300000000000002 110.925 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 76.4 m -122.63 143.72 40.65 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 5.9500000000000002 110.979 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.34 -43.82 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.566 2.177 . . . . 7.4800000000000004 112.362 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -93.95 -52.68 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 7.0599999999999996 111.021 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.02 20.67 64.64 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.709 -0.758 . . . . 6.0 112.132 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -53.7 125.26 17.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 7.4900000000000002 110.8 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.54 96.5 0.38 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 5.2599999999999998 111.195 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.82 -177.65 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 2.7999999999999998 110.972 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -53.16 115.46 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 2.79 110.575 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -121.25 144.98 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 3.4100000000000001 111.099 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.427 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 2.3 pt20 -143.38 137.29 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.834 -0.621 . . . . 2.6499999999999999 110.261 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.9 pt-20 -114.91 -176.94 3.01 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.657 -0.417 . . . . 2.1899999999999999 111.695 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 33.0 m0 -117.31 152.85 34.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.838 -0.619 . . . . 4.2400000000000002 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 78' ' ' LEU . 72.3 t-105 -111.64 118.91 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 3.8399999999999999 110.81 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.19 133.63 48.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 1.1399999999999999 111.216 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.482 HD13 ' CD1' ' A' ' 76' ' ' TRP . 4.5 mp -105.31 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 1.71 110.937 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.35 -0.833 . . . . 5.5899999999999999 111.047 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.862 0.363 . . . . 4.2000000000000002 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.65 131.53 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 1.8700000000000001 110.858 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -135.32 169.43 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 2.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 5' ' ' MET . 4.4 pp -63.15 -15.79 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 1.21 111.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.426 ' N ' HD12 ' A' ' 4' ' ' LEU . 19.0 ptm -48.41 -36.13 14.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.917 0.389 . . . . 2.9900000000000002 111.076 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.68 -63.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 2.77 110.792 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -56.52 -29.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.418 . . . . 2.2599999999999998 110.593 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -57.99 -56.06 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.88 -0.6 . . . . 2.5899999999999999 110.68 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.73 -45.88 92.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 2.1899999999999999 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.6 mmt -50.42 -60.05 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 2.4100000000000001 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 17' ' ' MET . 4.3 mm? -63.57 -47.77 80.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 2.6699999999999999 111.127 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.7 -24.85 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 1.49 111.321 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 mt -111.96 16.53 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 2.5 111.569 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -138.1 -80.01 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.692 0.282 . . . . 2.6400000000000001 111.074 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.45 -82.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.677 -0.773 . . . . 1.53 112.751 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -100.5 106.67 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.676 0.274 . . . . 3.3100000000000001 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.465 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 71.9 mtp -161.5 173.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 2.6699999999999999 111.018 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 17.0 pt-20 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 2.7000000000000002 110.598 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HB1' HG23 ' A' ' 33' ' ' ILE . . . -80.94 -12.83 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 1.25 111.593 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -47.77 -62.43 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.347 . . . . 2.4300000000000002 111.315 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -56.46 -58.13 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 2.4399999999999999 110.852 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.8 mt -52.19 -35.36 48.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 2.3500000000000001 110.706 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.7 t -62.24 -50.84 70.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 1.6799999999999999 110.969 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 1.3100000000000001 110.817 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.67 -22.55 64.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 4.3399999999999999 111.158 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.63 -7.52 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 2.2999999999999998 111.613 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 65.7 19.5 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.594 0.235 . . . . 2.6299999999999999 111.205 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.403 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 43.0 m -80.4 138.89 51.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.509 -0.314 . . . . 1.6000000000000001 110.924 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 87.3 Cg_exo -46.44 130.85 14.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.451 2.101 . . . . 0.79000000000000004 112.392 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.2 mp0 -68.49 -46.33 36.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 2.4300000000000002 111.359 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.4 Cg_exo -45.09 -31.59 5.9 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.22 1.946 . . . . 0.76000000000000001 112.339 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -72.94 -33.05 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 1.2 110.475 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.411 HG23 ' HB1' ' A' ' 19' ' ' ALA . 48.0 mm -51.32 -53.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 1.2 110.867 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -48.8 -38.11 21.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.029 0.442 . . . . 1.6399999999999999 110.435 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -81.47 -26.0 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.687 -0.688 . . . . 1.1100000000000001 110.746 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.9 ttm -61.59 -52.05 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 2.2400000000000002 110.529 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 2.6 mm? -77.63 -50.65 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 2.0299999999999998 109.932 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.24 -44.03 43.28 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.946 -0.57 . . . . 2.3300000000000001 110.563 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 28.1 ttm180 -66.52 -54.34 24.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 3.7599999999999998 110.268 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.6 ttt -54.25 -37.95 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 2.77 110.373 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.8 tm-20 -84.64 -18.11 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 2.3399999999999999 110.845 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.22 3.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.425 -0.352 . . . . 1.1799999999999999 111.101 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.3 ptp -84.28 -27.22 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 3.1600000000000001 110.41 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 112.38 54.33 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.826 -0.702 . . . . 0.64000000000000001 112.659 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -69.48 -72.49 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.694 0.283 . . . . 2.5099999999999998 110.995 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.05 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 1.9399999999999999 111.463 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.76 159.64 9.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 2.04 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -150.17 162.47 40.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 2.8199999999999998 111.173 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.77 105.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 2.0499999999999998 111.098 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.2 p -82.6 120.25 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 1.45 111.141 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -126.19 151.26 47.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.83 -0.623 . . . . 2.48 110.943 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -122.38 163.14 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 1.7 111.068 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 82.1 p -124.22 120.47 32.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 2.6699999999999999 111.042 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.48 -62.82 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 5.4299999999999997 110.419 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.69 -33.94 2.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.79 -0.719 . . . . 4.9100000000000001 112.581 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.3 m -128.66 172.87 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 6.9000000000000004 110.779 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.7 tp -117.57 19.46 13.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 7.2800000000000002 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.8 m -87.08 -29.4 21.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 8.3399999999999999 111.032 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.27 -25.87 73.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 7.8399999999999999 112.527 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m 66.28 -69.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 7.0700000000000003 111.044 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 84.4 m 64.95 170.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 6.6299999999999999 110.818 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -176.12 172.06 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 7.2000000000000002 111.287 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.42 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 47.9 t -69.2 109.54 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 6.0300000000000002 111.054 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.93 145.54 46.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 5.9500000000000002 110.808 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.81 -31.47 10.27 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.488 2.125 . . . . 7.4800000000000004 112.276 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.94 -66.31 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 7.0599999999999996 111.017 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.52 47.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.803 -0.713 . . . . 6.0 112.437 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -133.42 127.09 32.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 7.4900000000000002 110.76 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.34 174.77 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 5.2599999999999998 111.178 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.47 -165.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 2.7999999999999998 111.021 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -50.47 106.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.424 -0.353 . . . . 2.79 110.921 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -123.2 143.31 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 3.4100000000000001 110.755 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -142.12 140.97 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.385 . . . . 2.6499999999999999 110.945 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -118.62 153.15 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 2.1899999999999999 111.271 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 9.5 t-105 -91.27 153.79 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.798 -0.637 . . . . 4.2400000000000002 110.629 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.529 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 59.4 t90 -129.46 124.53 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 3.8399999999999999 110.992 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.53 169.45 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 1.1399999999999999 111.337 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 2.2 mp -104.42 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 1.71 110.792 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.265 -0.874 . . . . 5.5899999999999999 110.852 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 ttp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.929 0.395 . . . . 4.2000000000000002 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.13 126.83 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 1.8700000000000001 111.248 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -117.36 154.65 30.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 2.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 5' ' ' MET . 3.9 pp -64.66 -13.73 55.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.21 111.342 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.429 ' N ' HD11 ' A' ' 4' ' ' LEU . 1.6 mpt? -64.9 -34.31 78.09 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 2.9900000000000002 110.686 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 2.77 110.508 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.6 -30.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 2.2599999999999998 110.254 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -56.81 -44.93 82.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 2.5899999999999999 110.533 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 2.1899999999999999 110.461 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mmt -50.83 -53.97 27.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 2.4100000000000001 110.523 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' HG ' ' CG ' ' A' ' 76' ' ' TRP . 3.8 mm? -70.74 -29.27 65.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 2.6699999999999999 110.995 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -33.77 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.49 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -93.53 -45.88 7.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 2.5 111.205 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -94.03 -76.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 2.6400000000000001 111.014 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.82 155.01 23.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 1.53 112.442 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.0 OUTLIER 56.31 89.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.631 0.253 . . . . 3.3100000000000001 111.12 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.451 ' O ' ' CD1' ' A' ' 75' ' ' TRP . 62.0 mtm -161.95 175.78 11.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 2.6699999999999999 110.942 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.66 152.71 32.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.579 . . . . 2.7000000000000002 110.581 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -81.9 -14.01 56.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 1.25 111.453 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' CD ' ' OE1' ' A' ' 73' ' ' GLN . 62.8 pttt -67.48 -46.12 73.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.744 0.307 . . . . 2.4300000000000002 110.896 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -61.31 -55.02 36.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 2.4399999999999999 110.969 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.56 -39.24 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 2.3500000000000001 110.993 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p -68.3 -39.24 82.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.6799999999999999 110.805 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.42 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.535 . . . . 1.3100000000000001 111.142 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -62.42 -26.56 68.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 4.3399999999999999 110.815 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.3 mt -125.84 14.26 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 2.2999999999999998 111.42 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 56.42 105.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 2.6299999999999999 110.856 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -150.87 138.55 12.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.517 . . . . 1.6000000000000001 110.779 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -44.09 108.24 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.517 2.145 . . . . 0.79000000000000004 112.39 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 43.6 mt-30 -58.04 -44.24 99.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 2.4300000000000002 111.642 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 69.0 Cg_exo -50.47 -26.64 16.8 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.149 1.899 . . . . 0.76000000000000001 112.228 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -84.66 -41.06 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 1.2 110.684 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CG2' ' HB1' ' A' ' 19' ' ' ALA . 49.6 mm -47.64 -52.53 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 1.2 111.402 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' HB2' ' HB2' ' A' ' 72' ' ' ARG . 8.5 t70 -48.87 -36.68 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 1.6399999999999999 110.748 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.65 -25.56 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.711 -0.677 . . . . 1.1100000000000001 110.874 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' A' ' 19' ' ' ALA . 51.8 ttp -63.33 -53.45 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 2.2400000000000002 110.907 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 19' ' ' ALA . 6.1 mp -74.87 -44.64 47.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 2.0299999999999998 111.078 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.93 -42.64 90.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 2.3300000000000001 110.948 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -70.07 -41.65 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 3.7599999999999998 110.997 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 15.9 tpt -51.22 -55.44 18.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 2.77 110.776 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.65 -20.71 58.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 2.3399999999999999 111.108 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.2 -25.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 1.1799999999999999 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 79.9 mmm -98.06 -23.34 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 3.1600000000000001 110.816 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.04 82.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.699 -0.762 . . . . 0.64000000000000001 112.443 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 52.5 tptt -103.71 -87.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.537 0.208 . . . . 2.5099999999999998 111.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 79' ' ' ARG . 99.5 t -157.43 -84.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 116.623 -0.262 . . . . 1.9399999999999999 111.172 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.8 t -145.1 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.871 0.367 . . . . 2.04 111.108 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -152.95 162.43 41.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 2.8199999999999998 110.532 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 mt -133.51 107.9 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 2.0499999999999998 111.166 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.425 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 78.7 p -77.05 110.11 11.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 1.45 110.899 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.44 138.74 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -117.14 167.22 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.7 110.94 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -163.36 130.12 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 2.6699999999999999 110.99 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -157.69 25.26 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 5.4299999999999997 110.974 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.01 -30.56 2.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 4.9100000000000001 112.553 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.46 -178.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 6.9000000000000004 110.963 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 mt -100.55 169.36 9.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 7.2800000000000002 110.921 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.4 p -87.56 -25.7 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 8.3399999999999999 110.851 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.49 -37.36 66.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 7.8399999999999999 112.431 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -85.57 164.88 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 7.0700000000000003 110.797 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -110.79 -53.32 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 6.6299999999999999 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -115.66 -175.55 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 7.2000000000000002 110.721 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 t 178.89 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 6.0300000000000002 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.4 m -79.16 156.44 76.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 5.9500000000000002 110.962 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.78 -49.89 10.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.607 2.205 . . . . 7.4800000000000004 112.092 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.25 -55.71 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 7.0599999999999996 110.707 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.93 66.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 6.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -85.51 140.71 30.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 7.4900000000000002 110.937 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.24 173.31 7.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 5.2599999999999998 111.093 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.99 -54.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 2.7999999999999998 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 76.2 m -94.58 84.81 4.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 2.79 110.718 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 76.3 mtm180 -88.84 155.63 19.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 3.4100000000000001 111.189 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' CD ' ' A' ' 20' ' ' LYS . 6.6 pt20 -151.98 115.58 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 2.6499999999999999 110.64 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -93.8 -169.81 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 2.1899999999999999 110.824 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.521 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 4.8 t-105 -126.18 147.07 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.749 -0.659 . . . . 4.2400000000000002 110.632 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.521 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 3.0 t90 -113.63 111.88 22.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 3.8399999999999999 110.298 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.82 138.47 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 1.1399999999999999 111.355 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 78' ' ' LEU . 6.2 mp -105.22 -176.09 2.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 1.71 110.705 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' N ' HG12 ' A' ' 46' ' ' VAL . 20.9 ttp-105 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.181 -0.914 . . . . 5.5899999999999999 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.802 0.334 . . . . 4.2000000000000002 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.75 143.28 28.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.8700000000000001 111.129 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -102.33 166.6 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 2.0 110.818 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 5' ' ' MET . 4.6 pp -59.4 -21.29 59.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.21 111.039 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.432 ' N ' HD11 ' A' ' 4' ' ' LEU . 38.3 tpp -51.62 -46.18 63.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.454 -0.339 . . . . 2.9900000000000002 110.935 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -58.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 2.77 110.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.408 HG23 ' CD1' ' A' ' 22' ' ' LEU . 57.8 t -56.33 -33.51 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 2.2599999999999998 110.482 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -57.03 -59.15 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.834 -0.621 . . . . 2.5899999999999999 110.975 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.22 -43.58 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 2.1899999999999999 110.987 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.3 mtp -49.06 -56.49 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 2.4100000000000001 111.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.0 mp -80.27 -35.03 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.39 . . . . 2.6699999999999999 111.133 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -21.08 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.49 111.548 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.8 27.8 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 2.5 111.229 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -148.71 -58.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 2.6400000000000001 111.044 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.58 -116.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 1.53 112.482 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 8.5 mpt_? -71.47 109.28 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 3.3100000000000001 110.92 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.406 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 85.9 mtp -154.3 156.21 36.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.6699999999999999 110.811 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HG2' ' CG ' ' A' ' 75' ' ' TRP . 24.2 mt-10 -105.23 148.75 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.7000000000000002 110.894 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.55 -20.96 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 1.25 111.12 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 73' ' ' GLN . 21.8 ptmt -64.86 -26.44 68.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.295 -0.412 . . . . 2.4300000000000002 111.153 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.85 -58.28 9.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 2.4399999999999999 110.978 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' CD1' HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -69.41 -32.55 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 2.3500000000000001 111.019 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' GLN . 56.2 p -60.59 -39.27 87.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 1.6799999999999999 110.684 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.25 28.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.093 -0.503 . . . . 1.3100000000000001 111.048 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 4.3399999999999999 110.811 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' N ' HD21 ' A' ' 26' ' ' LEU . 3.8 mm? -101.18 -15.52 17.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 2.2999999999999998 111.328 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' SER . 54.9 mt-30 64.42 82.32 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.796 0.331 . . . . 2.6299999999999999 111.261 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -139.93 146.03 45.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 1.6000000000000001 110.831 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.07 116.56 0.6 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.48 2.12 . . . . 0.79000000000000004 112.5 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.3 mm-40 -61.59 -43.86 89.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 2.4300000000000002 111.645 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -53.4 -45.91 37.65 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.136 1.891 . . . . 0.76000000000000001 112.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 1.2 110.643 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.9 mm -48.23 -44.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.2 110.984 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' CD ' ' A' ' 72' ' ' ARG . 17.5 t70 -50.06 -38.39 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.6399999999999999 110.875 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.62 -25.38 45.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 1.1100000000000001 110.998 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.14 -57.08 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 2.2400000000000002 110.374 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 6.6 mp -70.59 -41.48 72.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.545 . . . . 2.0299999999999998 110.133 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.08 -42.88 66.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.121 -0.49 . . . . 2.3300000000000001 110.18 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -67.52 -45.86 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 3.7599999999999998 110.481 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.41 -45.61 80.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 2.77 110.437 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.37 -28.63 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 2.3399999999999999 110.234 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.19 -25.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.1799999999999999 110.859 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.73 -25.1 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 3.1600000000000001 110.749 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.58 69.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.64000000000000001 112.569 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -92.0 -76.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.605 0.241 . . . . 2.5099999999999998 110.908 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.4 t -154.06 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.508 -0.315 . . . . 1.9399999999999999 111.16 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -142.72 147.34 20.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 2.04 111.449 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -135.4 150.31 49.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 2.8199999999999998 110.805 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.486 HG22 ' CZ3' ' A' ' 75' ' ' TRP . 34.1 mm -129.05 102.37 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 2.0499999999999998 110.846 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 78.6 p -90.89 116.99 29.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.966 0.412 . . . . 1.45 111.263 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -124.96 157.32 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.967 -0.561 . . . . 2.48 110.694 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.8 t -121.31 153.09 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 1.7 111.328 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -59.39 162.76 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 2.6699999999999999 110.68 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.66 110.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 5.4299999999999997 110.696 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.66 30.06 2.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 4.9100000000000001 112.407 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 83.3 m -72.85 -58.4 3.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 6.9000000000000004 110.979 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 57' ' ' LEU . 4.8 mp -102.06 161.17 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 7.2800000000000002 110.9 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.4 p -100.37 20.75 14.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 8.3399999999999999 111.1 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.84 -53.93 36.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 7.8399999999999999 112.418 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.6 t -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 7.0700000000000003 110.776 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.6 m -149.55 -58.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 6.6299999999999999 111.032 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.6 177.4 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 7.2000000000000002 110.99 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p 50.54 100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 6.0300000000000002 110.993 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.8 m -88.21 146.03 37.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 5.9500000000000002 110.906 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.66 -49.58 2.27 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.578 2.186 . . . . 7.4800000000000004 112.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 -175.38 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 7.0599999999999996 110.859 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.37 46.42 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.845 -0.693 . . . . 6.0 112.394 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -109.5 122.17 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 7.4900000000000002 110.988 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 67.93 19.14 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 5.2599999999999998 111.51 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.8 117.33 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 2.7999999999999998 110.973 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.0 m -149.65 114.29 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 2.79 110.95 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' CD ' ' OD1' ' A' ' 34' ' ' ASP . 8.6 ptp180 -145.6 164.47 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 3.4100000000000001 111.204 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 17.4 pt20 -144.11 131.25 20.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 2.6499999999999999 110.485 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.8 pt-20 -107.35 168.74 9.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.041 0.448 . . . . 2.1899999999999999 111.78 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.486 ' CZ3' HG22 ' A' ' 49' ' ' ILE . 3.0 m0 -113.96 153.52 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 4.2400000000000002 109.984 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.466 ' CH2' HD12 ' A' ' 78' ' ' LEU . 26.1 t90 -121.41 140.15 52.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 3.8399999999999999 111.534 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.23 137.07 21.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 1.1399999999999999 111.113 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 HD12 ' CH2' ' A' ' 76' ' ' TRP . 3.5 mp -103.02 -177.46 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 1.71 110.698 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.218 -0.896 . . . . 5.5899999999999999 110.809 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.866 0.365 . . . . 4.2000000000000002 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.48 131.67 41.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.8700000000000001 111.085 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -129.36 162.13 28.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 2.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 5' ' ' MET . 4.3 pp -70.79 -15.32 62.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 1.21 111.515 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.435 ' N ' HD12 ' A' ' 4' ' ' LEU . 85.2 mtp -60.15 -40.99 91.81 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.786 0.327 . . . . 2.9900000000000002 110.97 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.64 -63.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 2.77 110.751 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 t -55.96 -40.92 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 116.158 -0.474 . . . . 2.2599999999999998 110.051 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -47.73 -56.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 2.5899999999999999 110.893 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.06 -45.89 79.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 2.1899999999999999 110.239 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 92.8 mmm -52.53 -28.81 22.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 2.4100000000000001 110.559 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 HD12 ' CG ' ' A' ' 76' ' ' TRP . 75.4 mt -76.15 -56.13 4.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 2.6699999999999999 111.108 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.13 -23.03 12.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 1.49 111.474 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 2.2 mp -107.46 17.81 22.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 2.5 111.845 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -158.34 -77.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 2.6400000000000001 111.363 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.34 -108.84 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 1.53 112.214 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.23 123.89 18.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 3.3100000000000001 110.588 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' TRP . 57.5 mtp -160.43 175.92 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 2.6699999999999999 111.165 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.9 pt-20 -148.55 141.86 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 2.7000000000000002 110.855 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -75.42 -23.4 56.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 1.25 110.987 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -49.43 -60.0 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 2.4300000000000002 111.218 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -53.85 -53.92 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 2.4399999999999999 110.992 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.82 -37.04 73.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 2.3500000000000001 111.065 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.5 m -66.22 -44.29 84.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 1.6799999999999999 111.186 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.77 -21.79 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.3100000000000001 111.587 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -84.34 -30.44 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 4.3399999999999999 111.156 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 26' ' ' LEU . 3.6 mm? -108.53 0.48 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 2.2999999999999998 111.607 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 64.03 100.92 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.883 0.373 . . . . 2.6299999999999999 110.835 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 87.8 m -163.22 139.19 5.4 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.155 -0.475 . . . . 1.6000000000000001 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 89.4 Cg_exo -43.47 138.18 5.3 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.213 . . . . 0.79000000000000004 112.301 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mp0 -77.17 -44.74 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 2.4300000000000002 111.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.0 Cg_exo -51.82 -47.62 25.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.15 1.9 . . . . 0.76000000000000001 112.273 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD11 ' O ' ' A' ' 32' ' ' LEU . 3.0 tm? -53.11 -45.72 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 1.2 110.716 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 47.3 mm -47.59 -40.43 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 1.2 111.267 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' HA ' ' CG ' ' A' ' 74' ' ' GLU . 16.0 t70 -51.34 -38.39 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 1.6399999999999999 110.801 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.41 -30.86 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.874 -0.603 . . . . 1.1100000000000001 111.348 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.1 ttp -58.29 -51.41 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 2.2400000000000002 111.242 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 76' ' ' TRP . 4.7 mp -79.4 -46.74 16.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 2.0299999999999998 111.085 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 12.6 mm-40 -56.93 -41.61 78.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.316 . . . . 2.3300000000000001 110.904 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 79.0 ttt180 -70.42 -56.23 7.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 3.7599999999999998 110.617 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.1 tpt -52.94 -34.29 54.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 2.77 110.608 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.13 -27.0 24.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 2.3399999999999999 110.482 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.43 -24.99 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 1.1799999999999999 110.936 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.73 -24.82 33.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.336 -0.393 . . . . 3.1600000000000001 110.585 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 56.54 0.3 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.799 -0.715 . . . . 0.64000000000000001 112.688 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HG2' ' CZ3' ' A' ' 76' ' ' TRP . 58.1 tptt -70.2 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.529 0.204 . . . . 2.5099999999999998 110.843 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 75.7 t -157.55 -78.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.629 -0.259 . . . . 1.9399999999999999 110.999 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 67.4 t -152.04 135.68 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 2.04 111.262 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 48' ' ' ARG . 5.2 ppt_? -133.31 162.68 31.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 2.8199999999999998 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' TRP . 69.7 mt -134.87 113.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 2.0499999999999998 111.135 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -86.46 115.72 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 1.45 110.698 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CB ' ' CZ2' ' A' ' 75' ' ' TRP . 10.0 tp10 -134.67 156.74 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 2.48 111.079 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 t -114.65 155.58 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.7 111.096 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.2 p -92.15 123.07 35.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.175 -0.466 . . . . 2.6699999999999999 110.802 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 59.83 152.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 5.4299999999999997 110.689 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.08 -35.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.799 -0.715 . . . . 4.9100000000000001 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t 67.04 -67.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 6.9000000000000004 110.893 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 2.5 mm? -78.01 169.31 18.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.131 -0.486 . . . . 7.2800000000000002 110.742 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -107.99 -33.59 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 8.3399999999999999 110.969 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.59 -71.26 0.94 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.78 -0.724 . . . . 7.8399999999999999 112.634 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -97.28 138.11 35.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 7.0700000000000003 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.9 m -90.01 -64.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 6.6299999999999999 110.966 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -86.04 -45.14 11.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 7.2000000000000002 110.907 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.9 t -68.24 146.64 53.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 6.0300000000000002 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 84.4 m -139.26 159.98 64.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 5.9500000000000002 110.856 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -46.65 -41.78 24.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.535 2.157 . . . . 7.4800000000000004 112.304 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -125.03 -44.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 7.0599999999999996 110.84 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.81 24.35 5.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 6.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -57.36 150.82 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 7.4900000000000002 110.679 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 67.56 -67.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 5.2599999999999998 111.108 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.61 125.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 2.7999999999999998 111.183 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -153.8 103.21 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 2.79 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -132.13 100.88 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 3.4100000000000001 110.966 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.36 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 2.6499999999999999 110.95 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -94.81 171.77 8.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 2.1899999999999999 110.669 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.484 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 13.6 m0 -125.02 149.61 47.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 4.2400000000000002 110.763 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.477 ' CG ' HD12 ' A' ' 11' ' ' LEU . 49.6 m95 -95.82 147.68 23.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 3.8399999999999999 111.193 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 126.79 3.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.057 -0.52 . . . . 1.1399999999999999 111.05 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 5.0 mp -101.11 -176.39 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.71 110.94 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.315 -0.85 . . . . 5.5899999999999999 110.819 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.873 0.368 . . . . 4.2000000000000002 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.69 140.61 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 1.8700000000000001 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 m -136.21 155.07 50.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 2.0 110.811 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp -62.44 -22.55 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 1.21 111.095 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.439 ' N ' HD12 ' A' ' 4' ' ' LEU . 23.0 ttt -56.88 -40.69 76.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 2.9900000000000002 110.992 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.28 -64.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 2.77 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.56 -38.13 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 2.2599999999999998 110.37 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -49.89 -59.27 4.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.661 -0.7 . . . . 2.5899999999999999 111.04 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 2.1899999999999999 111.246 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.4 mtp -50.71 -55.78 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 2.4100000000000001 111.065 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 11' ' ' LEU . 7.6 mp -73.81 -42.89 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 2.6699999999999999 111.027 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.17 -26.82 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.49 111.133 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 2.6 mp -112.15 20.73 16.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 2.5 111.376 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -136.74 -48.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.498 -0.319 . . . . 2.6400000000000001 110.953 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.82 -132.72 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 1.53 112.646 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -87.78 139.73 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 3.3100000000000001 110.972 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.47 175.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 2.6699999999999999 111.151 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 15.1 pt-20 -133.71 163.16 30.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 2.7000000000000002 110.801 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -79.85 -22.68 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 1.25 111.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -48.01 -53.16 17.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.37 -0.377 . . . . 2.4300000000000002 111.016 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -53.96 -51.37 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.4399999999999999 110.966 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.69 -28.89 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 2.3500000000000001 110.829 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' THR . 44.0 t -78.11 -27.04 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 1.6799999999999999 110.91 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 -33.78 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 1.3100000000000001 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -61.91 -24.68 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 4.3399999999999999 110.966 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.53 8.36 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 2.2999999999999998 111.665 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.22 21.73 12.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.703 0.287 . . . . 2.6299999999999999 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.428 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 90.5 m -66.36 140.16 96.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 1.6000000000000001 111.005 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 71.1 Cg_exo -48.51 132.77 25.41 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.79000000000000004 112.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.9 mt-30 -82.89 -44.33 0.89 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 2.4300000000000002 111.628 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 77.9 Cg_exo -48.13 -39.22 33.71 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.308 2.005 . . . . 0.76000000000000001 112.418 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -67.8 -44.07 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.2 110.847 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 48.5 mm -48.46 -36.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 1.2 111.372 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.9 t70 -47.49 -37.53 12.05 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.147 0.499 . . . . 1.6399999999999999 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.7 -29.47 32.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.734 . . . . 1.1100000000000001 110.762 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.2 tpp -56.64 -49.52 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 2.2400000000000002 110.386 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 37' ' ' LEU . 3.1 mm? -78.84 -46.62 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 2.0299999999999998 110.568 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.88 -45.18 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 2.3300000000000001 110.405 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -66.7 -48.51 69.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.011 -0.541 . . . . 3.7599999999999998 110.583 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 41.4 ttm -54.87 -49.39 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 2.77 110.449 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -74.99 -17.92 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 2.3399999999999999 111.198 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.44 -26.62 5.25 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.91 0.386 . . . . 1.1799999999999999 111.156 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.4 mmt -82.2 -23.7 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 3.1600000000000001 110.706 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.72 45.24 1.14 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.76 -0.733 . . . . 0.64000000000000001 112.283 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -52.69 -80.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.695 0.284 . . . . 2.5099999999999998 110.928 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 78' ' ' LEU . 21.5 t -156.52 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 1.9399999999999999 110.984 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -149.78 149.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 2.04 110.83 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.93 139.67 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 2.8199999999999998 110.884 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.6 mm -118.38 127.43 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 2.0499999999999998 111.283 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 1.45 110.857 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.84 144.91 49.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 2.48 111.18 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.0 p -105.3 131.75 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.7 111.053 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 t -78.5 96.43 5.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 2.6699999999999999 110.669 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -125.65 -70.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 5.4299999999999997 110.87 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 -48.84 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 4.9100000000000001 112.513 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -102.69 -60.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 6.9000000000000004 110.895 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -53.5 -66.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 7.2800000000000002 110.534 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.9 t -93.11 21.83 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 8.3399999999999999 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.69 -39.29 75.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 7.8399999999999999 112.39 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -108.3 -63.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 7.0700000000000003 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.42 -174.0 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 6.6299999999999999 110.844 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -142.75 103.78 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 7.2000000000000002 110.845 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.2 p -175.91 130.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 6.0300000000000002 110.706 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -135.17 140.06 33.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 5.9500000000000002 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.01 -42.33 4.29 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.533 2.155 . . . . 7.4800000000000004 112.281 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.22 -162.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 7.0599999999999996 110.895 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.38 107.15 0.94 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.826 -0.702 . . . . 6.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.96 114.66 1.51 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.93 0.395 . . . . 7.4900000000000002 111.059 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 47.84 89.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 5.2599999999999998 111.293 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.08 135.71 41.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 2.7999999999999998 110.822 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.0 p -51.39 105.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 2.79 110.818 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.32 128.01 21.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 3.4100000000000001 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.91 146.1 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 2.6499999999999999 110.767 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -103.59 178.01 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 2.1899999999999999 111.153 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CE3' ' OE2' ' A' ' 18' ' ' GLU . 3.0 t-105 -126.35 140.08 52.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 4.2400000000000002 110.33 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.444 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 69.7 t90 -107.07 115.92 31.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 3.8399999999999999 110.8 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.83 160.45 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 1.1399999999999999 111.294 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 3.0 mp -98.17 -171.65 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 1.71 110.573 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.165 -0.921 . . . . 5.5899999999999999 110.835 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.856 0.36 . . . . 4.2000000000000002 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.82 108.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.8700000000000001 111.178 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -99.55 177.12 5.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 2.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.466 ' CD1' ' CE ' ' A' ' 40' ' ' MET . 4.0 pp -74.36 -13.63 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.21 111.552 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.437 ' N ' HD13 ' A' ' 4' ' ' LEU . 47.1 ttm -49.55 -50.56 41.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 2.9900000000000002 111.231 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -52.05 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 2.77 110.781 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.6 m -54.75 -29.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.151 0.501 . . . . 2.2599999999999998 110.205 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -54.25 -56.28 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 2.5899999999999999 110.292 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.79 -38.96 90.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 2.1899999999999999 110.641 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.2 mmm -49.29 -57.61 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 2.4100000000000001 110.973 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 17' ' ' MET . 3.6 mm? -62.55 -38.72 91.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 2.6699999999999999 111.003 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.63 -40.14 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 1.49 111.263 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -50.1 -58.99 4.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 2.5 111.175 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.41 -74.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 2.6400000000000001 111.035 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.14 -37.62 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 1.53 112.658 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 10.3 mpt_? -104.49 103.03 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 3.3100000000000001 111.29 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.438 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 48.1 mtt -155.01 173.75 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 2.6699999999999999 110.854 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -149.62 156.76 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 2.7000000000000002 111.08 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 33' ' ' ILE . . . -83.03 -13.58 55.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.25 111.617 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -46.93 -56.02 7.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.678 0.275 . . . . 2.4300000000000002 111.342 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.58 -52.3 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 2.4399999999999999 110.812 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 22' ' ' LEU . 7.6 mp -58.85 -30.62 67.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 2.3500000000000001 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -73.65 -30.39 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.6799999999999999 110.986 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.37 -27.32 29.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 1.3100000000000001 111.186 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -92.32 -20.91 20.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 4.3399999999999999 111.181 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.56 -16.6 14.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 2.2999999999999998 111.403 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.61 97.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 2.6299999999999999 110.671 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.428 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 82.0 m -154.21 139.53 12.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 1.6000000000000001 111.002 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 85.4 Cg_exo -39.33 119.51 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.652 2.234 . . . . 0.79000000000000004 112.542 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 20.9 mp0 -65.74 -43.81 61.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 2.4300000000000002 111.731 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -52.99 -19.97 12.52 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.146 1.897 . . . . 0.76000000000000001 112.375 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.26 -42.17 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 1.2 110.286 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' HB1' ' A' ' 19' ' ' ALA . 48.9 mm -50.17 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 1.2 111.38 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.49 -39.01 21.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.865 0.364 . . . . 1.6399999999999999 110.921 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.3 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 1.1100000000000001 110.719 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.414 ' HE2' ' CB ' ' A' ' 19' ' ' ALA . 55.1 ttp -61.92 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 2.2400000000000002 110.306 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 82.6 mt -64.29 -49.56 71.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.014 -0.539 . . . . 2.0299999999999998 110.131 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' ALA . 10.1 tp10 -53.48 -37.74 62.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 2.3300000000000001 110.484 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -61.37 -59.33 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 3.7599999999999998 111.021 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 4' ' ' LEU . 42.8 tpp -56.62 -36.29 69.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 2.77 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.71 -20.18 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 2.3399999999999999 111.157 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -39.14 42.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 1.1799999999999999 111.243 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.42 -26.71 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 3.1600000000000001 110.623 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.42 55.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.756 -0.735 . . . . 0.64000000000000001 112.805 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -65.84 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 2.5099999999999998 111.135 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 79' ' ' ARG . 99.1 t -153.81 -84.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 1.9399999999999999 111.207 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.8 t -144.2 139.66 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.825 0.345 . . . . 2.04 110.938 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -131.89 162.52 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 2.8199999999999998 111.021 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.8 mt -145.34 111.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 2.0499999999999998 110.951 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 29.2 t -93.6 117.9 30.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.45 111.211 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.76 154.31 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 2.48 110.748 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.3 p -90.25 166.63 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 1.7 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -88.78 102.57 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 2.6699999999999999 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 129.36 29.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 5.4299999999999997 111.059 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.52 89.6 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 4.9100000000000001 112.467 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.4 t 67.33 -68.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.889 0.376 . . . . 6.9000000000000004 110.998 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.66 125.31 24.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 7.2800000000000002 110.993 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.2 p -124.2 26.88 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 8.3399999999999999 110.999 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.3 52.99 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.777 . . . . 7.8399999999999999 112.632 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -131.36 160.63 34.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 7.0700000000000003 110.957 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.9 t -52.94 -49.17 66.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 6.6299999999999999 110.589 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 64.37 -76.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 7.2000000000000002 111.355 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -56.6 110.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 6.0300000000000002 110.926 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.0 m -134.79 151.21 75.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 5.9500000000000002 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.07 -30.12 7.4 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 7.4800000000000004 112.395 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -128.88 -60.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 7.0599999999999996 110.906 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.37 74.6 1.25 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.827 -0.701 . . . . 6.0 112.464 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -52.38 118.42 3.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.74 0.305 . . . . 7.4900000000000002 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 55.53 22.07 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 5.2599999999999998 111.487 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.54 123.92 16.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 2.7999999999999998 111.033 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.16 120.03 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 2.79 110.878 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -144.32 151.38 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 3.4100000000000001 111.099 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -147.99 135.28 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 2.6499999999999999 110.498 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 13.0 pt-20 -105.85 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.102 0.477 . . . . 2.1899999999999999 111.888 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 2.1 t-105 -120.14 140.27 51.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 4.2400000000000002 110.287 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.459 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 10.3 t90 -110.32 117.77 34.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.938 0.399 . . . . 3.8399999999999999 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.72 138.68 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 1.1399999999999999 111.143 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 78' ' ' LEU . 4.8 mp -108.57 179.79 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 1.71 110.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' N ' HG13 ' A' ' 46' ' ' VAL . 76.9 ttt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.183 -0.913 . . . . 5.5899999999999999 110.865 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 4.2000000000000002 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.64 104.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 1.8700000000000001 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -93.53 170.18 9.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 2.0 111.121 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 5' ' ' MET . 4.4 pp -61.2 -17.25 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 1.21 111.324 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.428 ' N ' HD11 ' A' ' 4' ' ' LEU . 65.5 mtt -60.7 -29.99 69.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 2.9900000000000002 110.941 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.92 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 2.77 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.85 -32.9 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.142 -0.481 . . . . 2.2599999999999998 110.415 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.01 -61.25 2.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 2.5899999999999999 110.786 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.29 -51.2 59.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 2.1899999999999999 110.498 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -58.85 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 2.4100000000000001 110.368 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' CZ3' ' A' ' 76' ' ' TRP . 21.1 tp -66.01 -58.33 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 2.6699999999999999 110.603 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.77 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 1.49 110.994 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.55 3.36 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 2.5 111.626 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -151.63 -69.48 0.17 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.815 0.341 . . . . 2.6400000000000001 110.907 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 99.8 136.75 9.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 1.53 112.421 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 8.2 mpt_? 55.77 94.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.703 0.287 . . . . 3.3100000000000001 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.404 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 68.9 mtm -159.64 175.14 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 2.6699999999999999 110.82 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -123.18 149.09 45.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 2.7000000000000002 110.741 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HB1' ' CG2' ' A' ' 33' ' ' ILE . . . -82.14 -18.72 41.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 1.25 111.479 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -52.81 -43.28 65.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 2.4300000000000002 111.128 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.22 -57.54 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 2.4399999999999999 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.24 -29.2 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 2.3500000000000001 111.041 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.7 t -76.45 -25.94 54.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.6799999999999999 110.807 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.5 -42.75 52.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 1.3100000000000001 110.802 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -72.72 -28.74 62.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 4.3399999999999999 110.86 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -96.86 -16.26 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 2.2999999999999998 111.542 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 64.01 93.34 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.821 0.344 . . . . 2.6299999999999999 111.01 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.432 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 40.1 m -151.07 138.91 12.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 1.6000000000000001 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 82.6 Cg_exo -44.49 132.95 9.78 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.425 2.083 . . . . 0.79000000000000004 112.414 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.1 mp0 -65.86 -46.0 65.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 2.4300000000000002 111.579 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 88.9 Cg_exo -45.57 -39.89 17.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.257 1.971 . . . . 0.76000000000000001 112.143 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.57 -51.47 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 1.2 110.678 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' HB1' ' A' ' 19' ' ' ALA . 49.8 mm -47.85 -47.21 12.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.281 -0.418 . . . . 1.2 110.957 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.36 -39.03 78.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.6399999999999999 110.393 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -26.32 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 1.1100000000000001 110.752 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.06 -60.22 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 2.2400000000000002 110.142 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 6.4 mp -67.31 -45.89 75.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.864 -0.607 . . . . 2.0299999999999998 109.863 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' ALA . 39.0 tt0 -52.85 -54.02 40.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 2.3300000000000001 109.952 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -53.86 -39.31 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.65 . . . . 3.7599999999999998 110.347 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.4 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 16.8 tpt -64.55 -62.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 2.77 110.598 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.77 -17.87 64.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 2.3399999999999999 110.965 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -24.52 2.97 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.786 0.327 . . . . 1.1799999999999999 111.236 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.403 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 59.1 mtt -87.64 -25.27 23.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 3.1600000000000001 110.724 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.51 56.65 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.816 -0.707 . . . . 0.64000000000000001 112.516 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 3.4 mptp? -71.74 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.618 0.247 . . . . 2.5099999999999998 111.089 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 78' ' ' LEU . 58.6 t -144.01 -83.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.61 -0.268 . . . . 1.9399999999999999 111.595 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 77' ' ' ALA . 33.5 m -146.83 142.11 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 CA-C-O 121.053 0.454 . . . . 2.04 111.771 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -141.46 159.65 41.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 2.8199999999999998 110.348 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.9 mm -132.61 113.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 2.0499999999999998 111.329 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.8 p -95.58 119.37 33.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 1.45 111.296 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -133.6 146.58 51.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 2.48 110.553 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -106.1 160.52 15.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 1.7 111.342 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -116.39 146.83 42.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 2.6699999999999999 110.805 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -85.19 -62.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.361 -0.381 . . . . 5.4299999999999997 110.882 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.78 27.31 7.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 4.9100000000000001 112.444 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.9 m -141.18 -61.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 6.9000000000000004 110.969 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 57' ' ' LEU . 4.7 mp 54.98 22.7 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 7.2800000000000002 110.839 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -82.96 -35.41 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 8.3399999999999999 110.952 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.39 -51.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.635 -0.793 . . . . 7.8399999999999999 112.513 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -91.09 142.9 27.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.876 0.369 . . . . 7.0700000000000003 111.022 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m -117.19 -73.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 6.6299999999999999 110.788 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -71.11 -42.13 69.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 7.2000000000000002 110.904 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p 50.03 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 6.0300000000000002 111.02 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.4 142.76 58.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 5.9500000000000002 110.677 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.67 -40.2 67.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.55 2.167 . . . . 7.4800000000000004 112.219 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 67.06 -65.04 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 7.0599999999999996 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.51 -54.05 0.79 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.699 -0.762 . . . . 6.0 112.65 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -85.34 137.4 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 7.4900000000000002 110.815 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -171.99 115.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 5.2599999999999998 111.096 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 2.7999999999999998 111.15 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.4 p -67.44 117.74 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 2.79 111.074 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -150.71 139.44 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 3.4100000000000001 110.8 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -150.43 121.99 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 2.6499999999999999 110.907 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.4 pt-20 -107.09 179.16 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.896 0.379 . . . . 2.1899999999999999 111.281 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.52 ' CD1' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m0 -126.05 146.27 49.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 4.2400000000000002 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.475 ' CZ3' HD23 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -102.96 125.78 49.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 3.8399999999999999 110.611 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 47' ' ' VAL . . . -145.73 165.74 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.153 0.502 . . . . 1.1399999999999999 111.845 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 4.9 mp -108.09 -173.67 2.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 1.71 110.708 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.204 -0.903 . . . . 5.5899999999999999 110.843 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.77 0.319 . . . . 4.2000000000000002 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.21 102.37 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.408 . . . . 1.8700000000000001 111.054 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -91.41 156.68 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 2.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 5' ' ' MET . 4.6 pp -69.88 -21.34 63.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 1.21 111.228 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.44 ' N ' HD13 ' A' ' 4' ' ' LEU . 24.9 ptm -54.3 -35.63 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 2.9900000000000002 111.049 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.27 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.531 . . . . 2.77 110.656 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 p -61.68 -29.09 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.488 -0.778 . . . . 2.2599999999999998 110.32 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -53.85 -60.53 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.524 -0.762 . . . . 2.5899999999999999 110.958 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.3 -45.49 91.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 2.1899999999999999 111.201 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 94.8 mmm -47.13 -56.81 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 2.4100000000000001 111.3 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 11' ' ' LEU . 8.3 mp -74.59 -25.16 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 2.6699999999999999 110.856 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.28 -39.73 67.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 1.49 110.915 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 3.2 mp -107.76 27.53 9.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.542 . . . . 2.5 110.98 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -127.86 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.6400000000000001 110.852 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.73 -125.95 3.14 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.7 -0.762 . . . . 1.53 112.435 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.7 mpt_? -74.88 123.13 24.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.706 0.289 . . . . 3.3100000000000001 110.761 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 7.4 mtp -170.2 175.55 4.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 2.6699999999999999 111.188 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -141.47 141.75 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 2.7000000000000002 110.705 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.06 -20.34 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 1.25 111.194 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -48.33 -51.68 25.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 2.4300000000000002 111.132 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -55.22 -56.12 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 2.4399999999999999 110.741 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.57 -26.49 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 2.3500000000000001 111.035 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -62.02 -49.11 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 1.6799999999999999 110.927 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.47 -34.64 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 1.3100000000000001 111.124 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -68.22 -26.59 65.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 4.3399999999999999 111.016 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.83 11.67 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 2.2999999999999998 111.382 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 57.1 107.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.895 0.379 . . . . 2.6299999999999999 110.991 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -162.79 138.06 5.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 1.6000000000000001 110.71 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -49.58 143.04 22.57 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.616 2.21 . . . . 0.79000000000000004 112.243 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.5 mt-30 -77.09 -44.22 2.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 2.4300000000000002 111.894 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.3 Cg_exo -56.36 -34.59 94.61 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.046 1.831 . . . . 0.76000000000000001 112.129 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.43 -37.8 83.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 1.2 110.708 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mm -48.49 -54.65 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 1.2 111.456 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -49.13 -40.03 30.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 1.6399999999999999 110.85 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.21 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 1.1100000000000001 110.82 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.2 ttm -64.7 -54.59 29.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 2.2400000000000002 110.64 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 2.8 mm? -73.78 -46.97 42.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 2.0299999999999998 110.437 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ALA . 9.6 tp10 -54.38 -40.11 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 2.3300000000000001 110.403 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -65.47 -53.68 39.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 3.7599999999999998 110.672 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.408 ' HE1' ' CE2' ' A' ' 76' ' ' TRP . 53.3 ttp -56.63 -39.52 73.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 2.77 110.574 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -82.05 -21.49 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 2.3399999999999999 110.758 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -33.5 20.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.356 -0.384 . . . . 1.1799999999999999 111.13 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 ptm -73.06 -26.77 61.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 3.1600000000000001 110.449 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 55.97 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.657 -0.782 . . . . 0.64000000000000001 112.995 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -71.35 -82.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.726 0.298 . . . . 2.5099999999999998 110.903 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 79' ' ' ARG . 85.3 t -153.39 -83.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 1.9399999999999999 111.2 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 48' ' ' ARG . 12.4 p -146.29 155.72 12.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 2.04 111.352 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.8 ppt_? -149.95 162.15 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 2.8199999999999998 110.989 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -140.78 116.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 2.0499999999999998 111.092 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.442 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.5 p -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.45 111.383 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -114.36 147.68 38.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 2.48 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t -82.03 169.26 16.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 1.7 110.873 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.5 m -48.25 165.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 2.6699999999999999 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 65.28 153.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 5.4299999999999997 110.752 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.11 140.37 13.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.637 -0.792 . . . . 4.9100000000000001 112.632 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m 65.91 -179.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 6.9000000000000004 110.884 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' LEU . 4.3 mp 64.84 112.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 7.2800000000000002 110.961 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.2 p -102.04 26.62 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 8.3399999999999999 110.836 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.61 -10.84 85.98 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.835 -0.697 . . . . 7.8399999999999999 112.966 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.5 p -102.95 113.67 27.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.863 0.363 . . . . 7.0700000000000003 111.04 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -80.93 174.38 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 6.6299999999999999 110.972 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -88.21 101.76 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 7.2000000000000002 110.859 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.7 m -166.1 109.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 6.0300000000000002 110.858 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.7 m -127.35 148.79 67.76 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 5.9500000000000002 110.972 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.89 -46.87 2.15 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.652 2.234 . . . . 7.4800000000000004 112.249 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.6 -177.76 6.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 7.0599999999999996 110.878 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.2 61.8 1.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 6.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -97.47 147.24 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 7.4900000000000002 110.75 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 68.39 -62.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 5.2599999999999998 111.275 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 67.89 131.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 2.7999999999999998 111.053 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 51.3 t -167.58 117.92 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 2.79 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -155.47 155.28 33.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 3.4100000000000001 110.91 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -147.52 130.49 16.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 2.6499999999999999 110.572 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 13.0 pt-20 -114.12 170.59 8.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.238 0.542 . . . . 2.1899999999999999 111.873 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 2.4 t-105 -117.53 142.85 46.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.406 -0.815 . . . . 4.2400000000000002 110.383 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 29.2 t90 -114.75 132.19 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 3.8399999999999999 110.847 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.96 149.18 39.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.115 -0.493 . . . . 1.1399999999999999 111.091 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 2.6 mp -108.88 169.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 1.71 110.629 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 46' ' ' VAL . 40.6 ttm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.18 -0.914 . . . . 5.5899999999999999 110.937 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.853 0.359 . . . . 4.2000000000000002 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.45 141.43 37.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 1.8700000000000001 111.073 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p -133.36 -173.96 3.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 2.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 5' ' ' MET . 4.4 pp -72.09 -18.12 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 1.21 111.203 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.427 ' N ' HD13 ' A' ' 4' ' ' LEU . 74.0 mtp -57.05 -36.06 70.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.965 0.412 . . . . 2.9900000000000002 110.767 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.87 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 2.77 110.408 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.84 -36.34 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 2.2599999999999998 110.443 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 76' ' ' TRP . 73.9 ttt180 -49.24 -57.98 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.692 -0.685 . . . . 2.5899999999999999 110.893 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 2.1899999999999999 110.641 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.5 mmt -53.97 -47.0 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 2.4100000000000001 110.928 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.1 mm? -80.4 -27.19 38.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 2.6699999999999999 110.888 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.69 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 1.49 111.15 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.9 mt -103.96 -55.88 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 2.5 110.961 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -62.59 -64.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 2.6400000000000001 111.116 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.04 -100.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 1.53 112.52 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.1 mpt_? -101.56 122.72 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.655 0.264 . . . . 3.3100000000000001 110.786 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 56.5 mtm -160.29 175.38 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 2.6699999999999999 111.206 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 1.0 OUTLIER -119.54 159.99 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 2.7000000000000002 110.561 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.97 -24.37 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 1.25 111.405 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 73' ' ' GLN . 22.1 pttp -59.92 -34.07 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 2.4300000000000002 110.904 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -62.36 -57.54 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 2.4399999999999999 110.786 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.64 -52.1 62.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 2.3500000000000001 110.804 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -53.92 -27.39 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.6799999999999999 110.825 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.72 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 1.3100000000000001 111.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -84.5 -29.86 25.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 4.3399999999999999 110.886 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -103.71 -6.47 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 2.2999999999999998 111.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.3 113.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.941 0.4 . . . . 2.6299999999999999 111.035 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.7 m -163.01 139.44 5.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 1.6000000000000001 110.844 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.76 112.67 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.79000000000000004 112.26 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 78.2 mt-30 -55.24 -46.99 99.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 2.4300000000000002 111.549 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 98.0 Cg_exo -42.73 -37.32 5.69 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.341 2.028 . . . . 0.76000000000000001 112.303 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -80.28 -34.8 36.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 1.2 110.61 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.1 mm -49.89 -53.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 1.2 111.4 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.36 . . . . 1.6399999999999999 110.986 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.13 -28.46 64.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.332 -0.395 . . . . 1.1100000000000001 110.74 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.53 -52.17 54.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 2.2400000000000002 109.984 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 50.4 mt -68.92 -51.75 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.797 -0.638 . . . . 2.0299999999999998 109.708 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.5 tt0 -48.65 -39.45 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.669 -0.696 . . . . 2.3300000000000001 110.914 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.37 -54.57 22.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.7599999999999998 110.519 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -53.51 -39.2 64.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 2.77 110.508 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -85.98 -19.25 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 2.3399999999999999 110.892 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.42 -24.65 3.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.508 -0.315 . . . . 1.1799999999999999 110.982 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 76.8 mtp -87.67 -25.85 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 3.1600000000000001 110.766 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.47 59.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.807 -0.711 . . . . 0.64000000000000001 112.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -75.13 -70.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 2.5099999999999998 110.915 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.44 -90.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.325 . . . . 1.9399999999999999 111.571 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.2 t -144.82 153.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.814 0.34 . . . . 2.04 111.025 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -150.21 162.25 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 2.8199999999999998 111.457 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.8 mt -141.34 113.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 2.0499999999999998 110.747 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.451 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.5 p -89.57 133.37 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 1.45 111.692 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.7 146.87 46.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.596 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -123.3 129.03 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.7 111.206 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.3 p -174.41 151.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 2.6699999999999999 110.786 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -174.29 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 5.4299999999999997 111.17 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.24 -101.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.587 -0.816 . . . . 4.9100000000000001 112.663 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 72.3 m -54.58 175.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.352 . . . . 6.9000000000000004 111.084 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 57' ' ' LEU . 5.0 mp -97.27 27.3 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 7.2800000000000002 110.701 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.2 m -75.69 -21.1 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 8.3399999999999999 111.151 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.6 57.05 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.633 -0.794 . . . . 7.8399999999999999 112.569 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.1 t -76.86 142.9 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 7.0700000000000003 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 69.0 m 62.06 -174.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.962 -0.563 . . . . 6.6299999999999999 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -86.3 -36.61 19.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 7.2000000000000002 110.751 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.4 p -58.61 150.99 21.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 6.0300000000000002 110.743 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.0 p -89.05 150.65 45.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 5.9500000000000002 110.927 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.45 -32.56 31.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.535 2.156 . . . . 7.4800000000000004 112.208 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 67' ' ' GLY . 31.8 tt0 -142.95 -86.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 7.0599999999999996 111.082 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' A' ' 66' ' ' GLU . . . -140.5 -62.52 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.836 -0.697 . . . . 6.0 112.281 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.06 108.36 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 7.4900000000000002 110.831 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.6 116.09 28.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 5.2599999999999998 111.128 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 111.76 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 2.7999999999999998 110.991 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 81.2 m 58.53 111.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 2.79 110.644 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -136.61 136.2 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 3.4100000000000001 111.018 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 18.8 pt20 -145.91 137.0 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 2.6499999999999999 110.667 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -113.7 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 2.1899999999999999 111.322 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 48.7 m0 -108.81 152.93 24.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 4.2400000000000002 110.813 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 8' ' ' ARG . 7.4 t90 -123.37 114.06 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 3.8399999999999999 110.882 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.29 152.84 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 1.1399999999999999 111.323 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 4.3 mp -100.75 161.55 13.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.996 -0.547 . . . . 1.71 110.714 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.18 -0.914 . . . . 5.5899999999999999 110.943 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.9 mtp . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.869 0.366 . . . . 4.2000000000000002 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.52 109.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 1.8700000000000001 111.093 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -106.44 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 2.0 110.79 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.36 -17.11 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 1.21 111.2 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.8 tpp -49.94 -44.19 50.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.366 . . . . 2.9900000000000002 111.011 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.39 -63.84 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 2.77 110.907 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 11' ' ' LEU . 14.6 p -60.86 -26.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 2.2599999999999998 110.621 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 72.1 ttt180 -59.71 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 2.5899999999999999 111.067 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.62 -47.2 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 2.1899999999999999 111.026 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 84.9 mmm -47.25 -49.83 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 2.4100000000000001 111.319 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.0 mp -83.16 -38.06 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.363 . . . . 2.6699999999999999 111.179 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -52.54 -23.32 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.367 . . . . 1.49 111.141 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -96.01 -11.46 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 2.5 111.575 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -107.4 -79.39 0.58 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.793 0.33 . . . . 2.6400000000000001 111.254 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.56 -134.2 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.9 -0.667 . . . . 1.53 112.314 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.5 mpt_? -58.14 119.71 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 3.3100000000000001 110.907 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.42 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 68.0 mtp -159.41 172.53 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 2.6699999999999999 110.893 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -126.31 148.97 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.397 . . . . 2.7000000000000002 110.905 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -83.1 -18.89 37.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 1.25 111.612 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -58.66 -39.24 80.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.756 0.312 . . . . 2.4300000000000002 110.749 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.76 -57.69 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 2.4399999999999999 110.722 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.62 -28.69 69.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 2.3500000000000001 110.716 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -71.47 -39.93 70.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 1.6799999999999999 110.855 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.57 87.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 1.3100000000000001 111.143 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.62 -25.17 67.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.381 -0.372 . . . . 4.3399999999999999 110.94 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.4 -4.5 22.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 2.2999999999999998 111.616 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 67.93 25.94 7.6 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 2.6299999999999999 111.024 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.3 m -77.06 138.41 65.15 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 1.6000000000000001 111.14 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.67 114.35 1.73 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.492 2.128 . . . . 0.79000000000000004 112.388 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.2 mt-30 -57.96 -44.98 99.79 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 2.4300000000000002 111.676 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 78.3 Cg_exo -50.68 -33.96 41.89 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.143 1.896 . . . . 0.76000000000000001 112.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.2 110.981 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 50.2 mm -48.46 -32.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.2 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 10.4 t70 -55.82 -36.45 67.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 1.6399999999999999 110.514 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.69 -27.56 37.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.818 -0.628 . . . . 1.1100000000000001 111.032 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.16 -56.46 20.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 2.2400000000000002 110.761 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.9 mp -74.74 -41.9 59.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 2.0299999999999998 110.688 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 34' ' ' ASP . 10.6 tp10 -59.83 -44.64 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 2.3300000000000001 110.6 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 71.6 ttt180 -68.42 -57.33 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 3.7599999999999998 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 tpt -49.83 -39.42 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 2.77 110.978 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -87.18 -21.46 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 2.3399999999999999 111.249 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.34 -26.01 4.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.778 0.323 . . . . 1.1799999999999999 111.105 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 68.2 mtm -88.01 -24.27 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 3.1600000000000001 110.817 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.78 58.95 0.54 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.743 -0.741 . . . . 0.64000000000000001 112.376 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -80.92 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 2.5099999999999998 110.676 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -153.41 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.173 -0.467 . . . . 1.9399999999999999 111.42 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 48' ' ' ARG . 61.7 t -148.47 156.77 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 2.04 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' N ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -150.45 150.36 31.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 2.8199999999999998 111.028 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mm -128.06 98.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 2.0499999999999998 110.763 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.422 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 80.7 p -72.55 109.33 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 1.45 111.016 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 75' ' ' TRP . 10.5 tp10 -121.92 158.94 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.625 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 t -121.43 168.98 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 1.7 111.371 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.7 m 63.88 155.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 2.6699999999999999 111.027 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.74 -55.73 20.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 5.4299999999999997 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.93 53.59 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.627 -0.797 . . . . 4.9100000000000001 112.647 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.3 m -126.17 172.08 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 6.9000000000000004 111.035 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 57' ' ' LEU . 4.8 mp 50.74 24.8 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 7.2800000000000002 110.982 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.0 p -99.94 22.11 11.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 8.3399999999999999 110.87 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.22 70.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 7.8399999999999999 112.593 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -167.62 121.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 7.0700000000000003 110.944 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.6 m 56.0 167.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 6.6299999999999999 110.923 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -71.9 149.26 45.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 7.2000000000000002 111.021 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.9 m -111.57 -23.14 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 6.0300000000000002 111.032 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.18 144.78 41.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 5.9500000000000002 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.62 -36.72 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.663 2.242 . . . . 7.4800000000000004 112.425 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -110.03 -57.56 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 7.0599999999999996 111.014 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.27 20.65 10.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 6.0 112.531 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.13 104.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.923 0.392 . . . . 7.4900000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -147.58 -178.3 6.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 5.2599999999999998 111.149 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.64 -65.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.7999999999999998 111.14 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.8 p -65.99 116.62 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 2.79 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -140.44 131.72 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 3.4100000000000001 111.065 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -140.61 141.83 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 2.6499999999999999 110.943 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' OE2' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -101.39 171.59 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 2.1899999999999999 110.505 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.482 ' CZ2' ' HG2' ' A' ' 51' ' ' GLU . 19.9 m0 -121.99 122.28 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 4.2400000000000002 110.392 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.467 ' CZ2' ' CG2' ' A' ' 46' ' ' VAL . 53.4 t-105 -76.63 147.58 37.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 3.8399999999999999 111.127 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.52 137.4 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 1.1399999999999999 111.114 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 4.6 mp -103.47 158.39 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.71 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.027 -0.987 . . . . 5.5899999999999999 111.033 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.812 0.339 . . . . 4.2000000000000002 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.24 135.98 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 1.8700000000000001 111.164 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -111.86 179.84 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 2.0 110.797 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 5' ' ' MET . 3.9 pp -80.6 -14.14 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 1.21 111.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.444 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.1 mtt -55.72 -46.35 77.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.868 0.366 . . . . 2.9900000000000002 110.859 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.17 -64.12 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 2.77 111.152 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.9 m -57.45 -37.73 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 2.2599999999999998 110.368 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -49.62 -53.66 22.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.701 . . . . 2.5899999999999999 110.973 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.98 -46.17 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 2.1899999999999999 110.676 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -52.33 -48.04 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 2.4100000000000001 110.497 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD11 ' CE3' ' A' ' 76' ' ' TRP . 4.1 mm? -61.44 -47.62 84.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 2.6699999999999999 110.713 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.2 51.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.49 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 mt -99.89 -22.31 15.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 2.5 111.139 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -106.91 -73.22 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.915 0.388 . . . . 2.6400000000000001 110.949 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.25 137.98 10.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.637 -0.792 . . . . 1.53 112.992 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 16' ' ' ARG . 8.9 mpt_? 61.8 80.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 3.3100000000000001 111.291 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 60.7 mtt -161.1 175.01 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 2.6699999999999999 111.218 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' CD ' ' CE3' ' A' ' 75' ' ' TRP . 24.9 mt-10 -124.31 153.79 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 2.7000000000000002 110.58 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -82.69 -20.33 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 1.25 111.355 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -53.8 -46.82 71.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 2.4300000000000002 110.892 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -67.1 -57.54 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 2.4399999999999999 110.959 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 2.3500000000000001 111.088 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -63.83 -43.89 94.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 1.6799999999999999 111.074 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.27 98.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.3100000000000001 111.342 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.98 -24.66 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.373 . . . . 4.3399999999999999 111.205 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.26 4.29 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.494 -0.321 . . . . 2.2999999999999998 111.663 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 66.4 99.15 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.751 0.31 . . . . 2.6299999999999999 111.097 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.407 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 67.7 m -163.35 139.07 5.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 1.6000000000000001 111.037 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 79.6 Cg_exo -45.41 114.02 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.483 2.122 . . . . 0.79000000000000004 112.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 27.4 tt0 -57.93 -44.1 99.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 2.4300000000000002 111.499 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 50.6 Cg_exo -54.25 -57.28 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.268 1.978 . . . . 0.76000000000000001 112.241 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.66 -32.02 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.953 0.406 . . . . 1.2 111.043 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CG2' ' HB2' ' A' ' 19' ' ' ALA . 45.8 mm -51.81 -33.02 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.137 -0.483 . . . . 1.2 111.054 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 2.0 p30 -51.33 -36.13 41.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.129 0.49 . . . . 1.6399999999999999 110.362 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -81.04 -28.25 35.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 1.1100000000000001 110.782 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.9 ttm -56.87 -54.07 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 2.2400000000000002 110.452 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 19' ' ' ALA . 8.2 mp -76.89 -43.35 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 2.0299999999999998 110.652 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.23 -40.11 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 2.3300000000000001 110.948 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 41.4 ttm180 -71.41 -57.76 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 3.7599999999999998 111.147 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.484 ' HE1' ' CD1' ' A' ' 76' ' ' TRP . 30.7 ttp -48.72 -40.79 29.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.77 111.164 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.89 -24.1 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 2.3399999999999999 110.769 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.46 -29.48 10.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 1.1799999999999999 111.248 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.38 -27.65 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 3.1600000000000001 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.02 47.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.655 -0.783 . . . . 0.64000000000000001 112.574 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -67.84 -67.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 2.5099999999999998 110.52 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -155.39 -89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.9399999999999999 111.257 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -141.08 138.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.773 0.321 . . . . 2.04 111.204 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -141.3 129.61 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 2.8199999999999998 110.864 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 49' ' ' ILE . 4.5 mp -124.49 117.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 2.0499999999999998 110.967 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.0 t -76.57 122.58 24.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 1.45 111.043 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -126.14 140.63 52.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 2.48 110.664 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -92.1 134.44 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 1.7 111.237 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 109.95 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 2.6699999999999999 110.91 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -130.33 23.23 5.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 5.4299999999999997 111.013 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.27 -24.8 5.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 4.9100000000000001 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -82.39 -68.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 6.9000000000000004 110.889 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 57' ' ' LEU . 4.6 mp -85.92 168.22 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 7.2800000000000002 111.02 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.9 p -105.25 -26.13 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 8.3399999999999999 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.69 -41.08 49.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 7.8399999999999999 112.551 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.62 146.22 49.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 7.0700000000000003 110.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.9 t -142.01 -60.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 6.6299999999999999 110.842 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -173.87 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 7.2000000000000002 110.984 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -149.1 114.07 5.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 6.0300000000000002 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.7 m -87.96 144.06 34.17 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 5.9500000000000002 111.073 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.91 -48.25 0.73 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.498 2.132 . . . . 7.4800000000000004 112.244 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -98.8 -46.87 5.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 7.0599999999999996 110.651 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.92 80.44 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.98 -0.629 . . . . 6.0 112.673 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -75.16 120.83 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 7.4900000000000002 110.777 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 59.68 -171.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 5.2599999999999998 111.013 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.22 136.8 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 2.7999999999999998 111.255 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.19 99.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 2.79 110.808 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -144.74 159.15 43.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 3.4100000000000001 110.856 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -134.69 138.71 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.6499999999999999 110.771 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.05 176.38 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 2.1899999999999999 110.983 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.426 ' CE3' ' CD ' ' A' ' 18' ' ' GLU . 3.8 t-105 -125.89 117.99 24.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 4.2400000000000002 110.263 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.528 ' CZ3' ' CD1' ' A' ' 78' ' ' LEU . 67.5 t90 -98.23 140.76 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 3.8399999999999999 111.147 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.77 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 1.1399999999999999 110.997 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.528 ' CD1' ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mp -104.2 161.07 14.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.71 111.114 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.166 -0.921 . . . . 5.5899999999999999 110.87 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.0 mtp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.808 0.337 . . . . 4.2000000000000002 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.8 173.33 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.8700000000000001 111.059 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -142.92 -177.16 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 2.0 110.638 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 5' ' ' MET . 4.2 pp -66.62 -16.28 64.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 1.21 111.126 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.429 ' N ' HD13 ' A' ' 4' ' ' LEU . 24.7 ttt -52.95 -37.17 60.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.824 0.345 . . . . 2.9900000000000002 110.67 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.83 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 2.77 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.425 ' CG2' HD23 ' A' ' 11' ' ' LEU . 7.6 p -60.03 -28.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 2.2599999999999998 110.436 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -56.27 -56.59 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 2.5899999999999999 110.742 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.1 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 2.1899999999999999 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.0 mtt -51.4 -58.46 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 2.4100000000000001 110.696 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' A' ' 7' ' ' VAL . 3.6 mm? -62.16 -37.33 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 2.6699999999999999 110.894 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.19 -25.24 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.49 110.856 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -104.45 -27.85 11.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 2.5 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.4 -72.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 2.6400000000000001 110.992 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.13 -102.49 0.43 Allowed Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.76 -0.733 . . . . 1.53 112.562 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.62 108.33 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 3.3100000000000001 110.831 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.7 mtt -157.25 171.76 19.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 2.6699999999999999 111.153 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' OE2' ' CZ3' ' A' ' 75' ' ' TRP . 13.2 pt-20 -119.37 148.55 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 2.7000000000000002 110.932 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.02 -19.48 60.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.25 111.198 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -46.93 -62.09 1.56 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 2.4300000000000002 111.119 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -62.51 -48.13 80.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 2.4399999999999999 110.675 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.93 -40.03 56.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 2.3500000000000001 111.107 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 27' ' ' GLN . 46.0 t -68.96 -45.03 71.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.6799999999999999 110.961 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.51 90.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 1.3100000000000001 111.172 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -54.54 -39.64 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 4.3399999999999999 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 26' ' ' LEU . 3.0 mm? -104.03 -5.33 22.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 2.2999999999999998 111.552 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' SER . 88.4 mt-30 66.0 104.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 2.6299999999999999 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.437 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 88.9 m -161.77 139.46 6.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.6000000000000001 110.81 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 73.1 Cg_exo -39.86 114.96 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.179 . . . . 0.79000000000000004 112.476 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.6 tp-100 -63.56 -44.62 81.71 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.4300000000000002 111.778 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -47.05 -35.21 18.47 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.248 1.965 . . . . 0.76000000000000001 112.425 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 2.1 tm? -77.29 -41.04 42.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.407 . . . . 1.2 110.606 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.0 mm -47.82 -45.67 11.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 1.2 111.149 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.19 -39.88 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 1.6399999999999999 110.384 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -26.21 55.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 1.1100000000000001 110.654 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.443 ' HE2' ' CD1' ' A' ' 32' ' ' LEU . 47.4 tpp -61.26 -56.33 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 2.2400000000000002 110.189 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.04 -48.4 65.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.645 . . . . 2.0299999999999998 110.589 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 9.5 tp10 -51.44 -39.71 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 2.3300000000000001 110.478 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -67.83 -43.16 80.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.97 -0.559 . . . . 3.7599999999999998 110.432 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 tpt -52.87 -44.92 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 2.77 110.535 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.46 -23.24 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 2.3399999999999999 110.877 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.01 -27.15 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 1.1799999999999999 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.1 mtt -89.25 -24.51 22.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 3.1600000000000001 110.732 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.31 67.07 0.71 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.64000000000000001 112.529 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.76 -86.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.585 0.231 . . . . 2.5099999999999998 110.903 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 47' ' ' VAL . 10.6 m -120.91 -150.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.9399999999999999 110.371 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' N ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -104.36 124.51 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.077 0.465 . . . . 2.04 111.152 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH2' ' OE2' ' A' ' 38' ' ' GLU . 6.6 tmm_? -111.96 138.56 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 2.8199999999999998 110.769 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.1 mm -122.79 112.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 2.0499999999999998 111.153 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 84.7 p -74.78 114.67 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 1.45 110.881 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -118.82 146.04 45.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.43 . . . . 2.48 111.158 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -113.26 132.84 55.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.7 110.928 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -152.81 135.58 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 2.6699999999999999 110.917 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.61 -64.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 5.4299999999999997 110.933 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.22 -47.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 4.9100000000000001 112.444 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.94 -58.37 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 6.9000000000000004 110.752 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -68.54 118.74 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 7.2800000000000002 110.913 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.6 p -83.77 -28.17 28.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 8.3399999999999999 110.781 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.85 62.18 0.69 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.793 -0.718 . . . . 7.8399999999999999 112.377 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 82.6 p -51.23 174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.779 0.323 . . . . 7.0700000000000003 110.761 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.7 m -153.3 163.9 39.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 6.6299999999999999 110.829 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -87.59 -29.36 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 7.2000000000000002 111.027 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.1 m -87.14 104.57 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 6.0300000000000002 110.729 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.3 m -90.44 137.77 27.27 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 5.9500000000000002 110.913 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.41 -23.11 10.33 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.5 2.134 . . . . 7.4800000000000004 112.319 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -144.22 -69.51 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 7.0599999999999996 110.882 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.14 50.41 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 6.0 112.598 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -117.46 103.77 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 7.4900000000000002 110.84 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -58.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 5.2599999999999998 111.025 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.53 18.38 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 2.7999999999999998 111.594 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.7 131.13 43.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.863 0.363 . . . . 2.79 110.758 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -148.81 125.9 11.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 3.4100000000000001 111.236 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.74 126.71 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 2.6499999999999999 110.588 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -93.75 -179.67 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.245 0.545 . . . . 2.1899999999999999 111.124 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.467 ' CZ3' ' OE2' ' A' ' 18' ' ' GLU . 2.0 t90 -126.29 124.58 40.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.558 -0.746 . . . . 4.2400000000000002 109.866 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -100.48 120.15 39.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 3.8399999999999999 111.241 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.74 128.72 21.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 1.1399999999999999 110.633 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 7.3 mp -61.7 142.82 56.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 1.71 110.958 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.241 -0.885 . . . . 5.5899999999999999 111.01 -179.458 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.875 0.369 . . . . 4.2000000000000002 110.754 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.93 112.95 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 1.8700000000000001 111.306 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -91.98 -170.64 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 2.0 110.748 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 5' ' ' MET . 4.3 pp -76.04 -16.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 1.21 111.432 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.444 ' N ' HD13 ' A' ' 4' ' ' LEU . 81.2 mtp -53.62 -39.66 65.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 2.9900000000000002 110.793 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.4 -63.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.77 110.715 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.96 -31.67 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.531 . . . . 2.2599999999999998 110.333 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 3.8 tmt_? -51.27 -52.49 44.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.581 -0.736 . . . . 2.5899999999999999 110.814 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.06 -45.86 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 2.1899999999999999 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -55.0 -48.58 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 2.4100000000000001 111.068 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mm? -77.16 -33.22 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 2.6699999999999999 111.136 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -66.53 -19.0 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 1.49 111.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -108.37 20.15 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.505 -0.316 . . . . 2.5 111.315 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -131.87 -65.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.806 0.336 . . . . 2.6400000000000001 110.916 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.3 -94.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 1.53 112.607 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 7.2 mpt_? -94.06 91.81 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 3.3100000000000001 110.943 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.413 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 11.8 mmt -154.81 175.32 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 2.6699999999999999 111.063 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 2.7000000000000002 110.803 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -77.04 -16.54 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 1.25 111.502 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.75 -47.04 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 2.4300000000000002 110.991 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -53.33 -58.07 8.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 2.4399999999999999 110.96 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 23' ' ' SER . 4.3 pp -72.85 -19.11 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 2.3500000000000001 111.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.441 ' N ' HD13 ' A' ' 22' ' ' LEU . 47.7 t -70.06 -39.23 75.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 1.6799999999999999 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.56 -39.97 21.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 1.3100000000000001 110.938 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.23 -24.31 67.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 4.3399999999999999 110.87 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.8 -11.3 16.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.238 -0.437 . . . . 2.2999999999999998 111.451 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 61.18 76.49 0.37 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.935 0.398 . . . . 2.6299999999999999 110.958 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -132.55 146.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 1.6000000000000001 111.021 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -46.03 118.86 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.374 2.049 . . . . 0.79000000000000004 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 70.6 mt-30 -69.66 -43.53 21.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 2.4300000000000002 111.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.59 -26.19 8.82 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.381 2.054 . . . . 0.76000000000000001 112.748 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.2 -44.65 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.52 -0.309 . . . . 1.2 110.983 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -47.38 -49.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 1.2 111.281 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.91 -39.81 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.44 -0.346 . . . . 1.6399999999999999 110.707 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.26 -26.36 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 1.1100000000000001 110.634 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.2 ttm -62.68 -47.91 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 2.2400000000000002 110.053 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 3.2 mm? -70.87 -52.97 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 2.0299999999999998 109.986 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' ALA . 46.1 mt-10 -51.11 -38.64 53.04 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 120.933 0.397 . . . . 2.3300000000000001 110.25 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -63.03 -49.4 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 3.7599999999999998 110.615 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.9 tpt -61.11 -43.11 99.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 2.77 110.887 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.19 -17.29 50.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 2.3399999999999999 111.359 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -26.59 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 1.1799999999999999 111.175 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.1 ptm -81.2 -24.6 37.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 3.1600000000000001 110.64 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.78 46.6 0.71 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.817 -0.706 . . . . 0.64000000000000001 112.42 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -61.38 -77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.701 0.286 . . . . 2.5099999999999998 111.165 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 79' ' ' ARG . 92.6 t -150.57 -84.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 1.9399999999999999 111.613 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.3 t -138.75 152.21 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 2.04 111.441 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -147.78 147.84 30.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.873 -0.603 . . . . 2.8199999999999998 110.356 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.53 113.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 2.0499999999999998 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.455 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 37.6 t -88.32 128.17 35.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.244 0.545 . . . . 1.45 111.551 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -132.08 138.67 48.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.495 -0.775 . . . . 2.48 110.418 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 t -125.96 147.08 49.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 1.7 111.16 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.5 m -70.77 124.55 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 2.6699999999999999 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -114.0 -175.4 2.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 5.4299999999999997 110.816 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.23 -46.19 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.826 -0.702 . . . . 4.9100000000000001 112.309 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -135.62 -173.1 3.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.757 0.313 . . . . 6.9000000000000004 110.779 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.1 tp -160.64 100.53 1.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.166 -0.47 . . . . 7.2800000000000002 110.768 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -100.11 -25.24 14.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 8.3399999999999999 110.808 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.28 -35.23 0.48 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.815 -0.707 . . . . 7.8399999999999999 112.401 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -64.54 147.61 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 7.0700000000000003 110.661 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.7 m -124.96 -68.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 6.6299999999999999 110.948 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 24.38 9.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 7.2000000000000002 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.2 m -60.69 118.95 7.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 6.0300000000000002 110.622 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.17 137.51 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 5.9500000000000002 111.144 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.15 -45.24 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.518 2.145 . . . . 7.4800000000000004 112.394 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -159.67 -81.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 7.0599999999999996 111.229 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.77 -45.37 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.721 -0.752 . . . . 6.0 112.653 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -52.56 149.81 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 7.4900000000000002 111.096 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.46 -172.3 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 5.2599999999999998 111.254 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.74 167.4 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 2.7999999999999998 111.024 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.58 111.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 2.79 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -139.63 148.49 42.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 3.4100000000000001 111.085 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.48 136.45 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 2.6499999999999999 110.427 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 22.2 pt-20 -106.47 169.94 8.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.145 0.498 . . . . 2.1899999999999999 111.988 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -107.53 133.24 52.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 4.2400000000000002 110.334 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' LEU . 15.4 t90 -109.59 122.54 47.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.434 -0.348 . . . . 3.8399999999999999 111.154 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.82 140.97 48.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 1.1399999999999999 110.926 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 3.5 mp -106.18 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.71 111.015 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' N ' HG12 ' A' ' 46' ' ' VAL . 35.7 mmt180 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.275 -0.869 . . . . 5.5899999999999999 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.771 0.319 . . . . 4.2000000000000002 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.65 140.06 45.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.8700000000000001 110.947 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 t -138.04 -175.71 4.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 2.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 5' ' ' MET . 3.9 pp -69.43 -13.57 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 1.21 111.575 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.444 ' N ' HD11 ' A' ' 4' ' ' LEU . 93.7 mmm -49.37 -46.34 47.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 2.9900000000000002 111.052 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.45 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 2.77 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.42 -27.72 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 2.2599999999999998 110.383 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -61.23 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 2.5899999999999999 110.315 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.73 -41.2 99.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.407 . . . . 2.1899999999999999 110.135 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.33 -59.54 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 2.4100000000000001 110.596 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 3.8 mm? -70.33 -34.36 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 2.6699999999999999 110.719 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.63 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.49 110.745 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.85 -36.31 18.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 2.5 110.289 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -105.09 107.47 18.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.781 -0.645 . . . . 2.6400000000000001 110.81 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.27 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 1.53 113.113 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' CD ' ' N ' ' A' ' 16' ' ' ARG . 9.6 mpt_? -73.73 104.82 4.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.869 0.366 . . . . 3.3100000000000001 111.574 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.429 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 33.4 mtp -165.21 157.36 15.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 2.6699999999999999 110.921 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 37.9 mt-10 -108.53 159.19 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 2.7000000000000002 110.812 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.82 -20.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 1.25 111.42 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' NZ ' ' OE1' ' A' ' 21' ' ' GLN . 21.4 pttp -60.28 -46.56 89.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.786 0.327 . . . . 2.4300000000000002 110.944 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 15.4 mm100 -51.15 -55.63 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 2.4399999999999999 111.183 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 23' ' ' SER . 4.3 pp -72.25 -29.05 63.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 2.3500000000000001 111.212 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.414 ' N ' HD12 ' A' ' 22' ' ' LEU . 67.3 m -75.64 -29.05 59.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 1.6799999999999999 110.916 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.89 35.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 1.3100000000000001 111.064 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.88 -12.44 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 4.3399999999999999 111.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -118.2 9.96 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.504 0.193 . . . . 2.2999999999999998 111.497 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 52.55 94.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 2.6299999999999999 110.674 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.402 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -148.63 139.98 14.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 1.6000000000000001 111.021 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 72.9 Cg_exo -48.94 116.49 2.21 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.467 2.111 . . . . 0.79000000000000004 112.304 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 52.6 mt-30 -59.93 -44.98 98.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 2.4300000000000002 111.522 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 86.4 Cg_exo -45.69 -54.71 4.22 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.268 1.978 . . . . 0.76000000000000001 112.17 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -53.89 -42.19 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 1.2 110.717 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.2 mm -47.66 -48.85 10.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.455 . . . . 1.2 111.302 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -52.56 -42.92 64.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 1.6399999999999999 110.575 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.98 46.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 1.1100000000000001 111.336 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.42 -52.04 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.007 0.432 . . . . 2.2400000000000002 110.651 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 74' ' ' GLU . 80.1 mt -74.02 -49.44 24.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.901 -0.591 . . . . 2.0299999999999998 110.535 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.65 -43.87 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 2.3300000000000001 110.895 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.77 -48.01 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 3.7599999999999998 111.051 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -55.36 -47.22 76.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 2.77 110.618 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 2.3399999999999999 110.702 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.53 -24.82 3.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.841 0.353 . . . . 1.1799999999999999 111.079 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.74 -27.27 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 3.1600000000000001 110.576 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.55 57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.85 -0.69 . . . . 0.64000000000000001 112.529 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -68.92 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.631 0.253 . . . . 2.5099999999999998 110.929 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -153.79 -70.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.557 -0.292 . . . . 1.9399999999999999 111.247 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.06 129.65 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 2.04 111.094 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -137.47 120.86 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 2.8199999999999998 110.735 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' TRP . 41.9 mm -116.66 116.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 2.0499999999999998 111.174 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.8 p -75.46 123.98 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 1.45 110.853 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.57 129.67 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 2.48 111.006 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -111.54 167.4 10.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 1.7 110.998 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.7 t -83.22 119.15 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 2.6699999999999999 110.834 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.52 -42.31 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 5.4299999999999997 110.938 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.58 -86.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.838 -0.696 . . . . 4.9100000000000001 112.561 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 74.3 m -136.74 172.12 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 6.9000000000000004 110.838 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.8 mm? -107.38 20.01 19.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 7.2800000000000002 111.174 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 t -96.58 -24.69 15.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.857 0.361 . . . . 8.3399999999999999 110.913 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.03 -99.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 7.8399999999999999 112.428 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.5 p -137.98 -50.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 7.0700000000000003 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.9 t -179.85 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 6.6299999999999999 110.833 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -135.95 -65.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 7.2000000000000002 110.689 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.8 t 46.08 97.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 6.0300000000000002 111.454 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.8 t -118.7 133.72 23.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 5.9500000000000002 110.683 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.59 -50.15 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.293 1.995 . . . . 7.4800000000000004 112.229 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -142.87 -52.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 7.0599999999999996 110.841 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.85 48.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 6.0 112.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.17 118.14 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 7.4900000000000002 111.193 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.27 -179.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 5.2599999999999998 111.539 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.98 106.93 7.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 2.7999999999999998 110.992 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 63.8 m -108.27 38.0 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 2.79 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -52.42 157.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.221 0.534 . . . . 3.4100000000000001 111.667 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.17 110.11 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.43 -0.804 . . . . 2.6499999999999999 110.0 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.69 173.64 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.086 0.469 . . . . 2.1899999999999999 111.43 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.508 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.9 t90 -124.15 124.94 43.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.557 -0.747 . . . . 4.2400000000000002 109.986 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 11.3 t90 -102.17 126.3 49.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 3.8399999999999999 111.048 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.47 141.0 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 1.1399999999999999 111.079 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 4.0 mp -115.53 101.54 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.71 110.84 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.299 -0.858 . . . . 5.5899999999999999 110.827 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.837 0.351 . . . . 4.2000000000000002 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.59 151.96 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 1.8700000000000001 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m -132.78 -177.81 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 2.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 5' ' ' MET . 4.5 pp -80.85 -18.66 46.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 1.21 111.212 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.425 ' N ' HD13 ' A' ' 4' ' ' LEU . 91.2 mmm -50.94 -44.67 60.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.004 0.431 . . . . 2.9900000000000002 110.629 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.65 -57.74 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 2.77 110.429 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.429 HG21 ' CD2' ' A' ' 22' ' ' LEU . 47.3 t -58.94 -37.64 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 2.2599999999999998 110.474 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -48.84 -61.31 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 2.5899999999999999 111.083 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.38 -46.95 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 2.1899999999999999 110.387 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -51.51 -60.8 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 2.4100000000000001 110.69 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 76' ' ' TRP . 68.8 mt -57.82 -38.69 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 2.6699999999999999 110.758 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.68 -28.46 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 1.49 111.061 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.0 mt -104.54 22.08 15.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 2.5 111.254 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.05 -68.45 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 2.6400000000000001 110.845 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.84 -134.21 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 1.53 112.528 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.84 102.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 3.3100000000000001 110.845 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 76.3 mtp -159.7 163.31 34.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.227 -0.442 . . . . 2.6699999999999999 111.203 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 35.3 mt-10 -106.1 156.33 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 2.7000000000000002 110.562 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' CB ' ' HE2' ' A' ' 36' ' ' MET . . . -81.93 -20.83 37.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 1.25 111.023 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -52.23 -31.08 30.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 2.4300000000000002 110.769 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -64.17 -58.38 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 2.4399999999999999 111.094 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 23' ' ' SER . 3.8 pp -65.81 -19.57 65.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 2.3500000000000001 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' HD13 ' A' ' 22' ' ' LEU . 41.0 t -73.96 -44.87 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 1.6799999999999999 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.07 56.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 1.3100000000000001 111.087 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -67.51 -31.78 72.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 4.3399999999999999 111.112 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 26' ' ' LEU . 2.8 mm? -120.47 12.64 11.64 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.346 -0.388 . . . . 2.2999999999999998 111.458 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 61.21 104.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 2.6299999999999999 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -156.89 138.11 9.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 1.6000000000000001 110.894 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.97 134.33 28.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.125 . . . . 0.79000000000000004 112.263 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 16.1 mm-40 -77.28 -44.67 2.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 2.4300000000000002 111.456 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.35 -41.08 36.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.186 1.924 . . . . 0.76000000000000001 112.138 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.72 -44.37 96.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 1.2 110.664 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.8 mm -48.1 -43.04 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 1.2 111.191 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.6 t70 -50.56 -39.07 48.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.071 0.463 . . . . 1.6399999999999999 110.887 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.21 -26.81 38.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 1.1100000000000001 111.246 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.419 ' HE2' ' CB ' ' A' ' 19' ' ' ALA . 43.9 ttp -63.23 -53.89 45.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 2.2400000000000002 110.729 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.3 mp -74.2 -41.54 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 2.0299999999999998 110.46 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.92 -46.87 88.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 2.3300000000000001 110.667 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 37.5 ttm180 -65.55 -42.64 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 3.7599999999999998 110.735 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.493 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 24.5 ttt -56.33 -47.67 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.77 110.696 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.4 tm-20 -76.31 -21.58 56.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 2.3399999999999999 110.726 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.23 -25.39 3.61 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.845 0.355 . . . . 1.1799999999999999 110.849 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 82.7 mtp -84.42 -27.69 27.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 3.1600000000000001 110.607 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.45 50.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.89 -0.672 . . . . 0.64000000000000001 112.602 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -68.17 -76.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.626 0.25 . . . . 2.5099999999999998 110.831 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -151.39 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 1.9399999999999999 111.156 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.3 145.89 16.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 2.04 111.499 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -145.88 158.87 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 2.8199999999999998 110.676 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.437 HD11 ' N ' ' A' ' 49' ' ' ILE . 4.2 mp -131.8 113.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.343 . . . . 2.0499999999999998 111.429 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.7 p -77.75 119.13 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 1.45 110.675 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -119.0 132.6 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 2.48 111.05 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -125.98 165.77 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 1.7 110.935 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -175.63 133.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 2.6699999999999999 110.87 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -102.84 -71.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 5.4299999999999997 110.963 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.42 43.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 4.9100000000000001 112.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.7 t -156.91 -64.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 6.9000000000000004 110.896 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt 51.74 64.66 1.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 7.2800000000000002 110.748 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.1 p -111.54 -21.9 11.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 8.3399999999999999 111.038 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.03 -110.41 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.683 -0.77 . . . . 7.8399999999999999 112.532 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.6 p -116.21 -36.21 4.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 7.0700000000000003 111.012 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -166.51 -63.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 6.6299999999999999 111.009 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -78.73 -46.37 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 7.2000000000000002 110.938 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m 53.49 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 6.0300000000000002 110.953 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.4 t -136.49 92.09 15.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 5.9500000000000002 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.93 -56.32 3.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.497 2.132 . . . . 7.4800000000000004 112.195 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -165.55 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 7.0599999999999996 110.985 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.03 19.33 3.69 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.774 -0.727 . . . . 6.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -55.09 94.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 7.4900000000000002 110.952 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 49.22 -176.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 5.2599999999999998 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -179.04 119.9 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 2.7999999999999998 111.18 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 82.5 m -135.13 117.49 15.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 2.79 110.795 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -141.26 127.47 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 3.4100000000000001 111.113 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.33 133.65 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.6499999999999999 110.728 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -92.53 176.46 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.088 0.47 . . . . 2.1899999999999999 110.827 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.481 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.8 t90 -119.84 129.09 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 4.2400000000000002 109.787 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.493 ' CH2' ' HG2' ' A' ' 40' ' ' MET . 60.6 t-105 -102.42 140.12 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 3.8399999999999999 111.037 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.99 134.82 9.85 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.115 -0.493 . . . . 1.1399999999999999 111.191 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 3.2 mp -105.97 -178.57 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 1.71 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.285 -0.864 . . . . 5.5899999999999999 110.999 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.855 0.36 . . . . 4.2000000000000002 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.08 111.69 24.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 1.8700000000000001 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -81.63 -171.26 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 2.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp -55.88 -19.84 13.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 1.21 111.352 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.441 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.0 ptt? -56.32 -28.51 59.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 2.9900000000000002 110.816 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.22 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 2.77 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.71 -33.56 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 2.2599999999999998 110.548 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -50.9 -58.31 6.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.634 . . . . 2.5899999999999999 110.837 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.19 -44.48 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 2.1899999999999999 111.029 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 mmt -49.14 -47.34 45.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 2.4100000000000001 111.128 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.51 -33.2 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 2.6699999999999999 110.859 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -36.58 62.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 1.49 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.72 -55.42 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 2.5 111.014 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.2 -66.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 2.6400000000000001 110.959 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.32 166.01 20.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 1.53 112.599 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 7.6 mpt_? 56.88 69.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 3.3100000000000001 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.3 mtt -160.19 175.15 13.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 2.6699999999999999 111.124 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 30.7 mt-10 -115.04 158.2 22.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 2.7000000000000002 110.649 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' CB ' HD13 ' A' ' 37' ' ' LEU . . . -83.27 -17.62 41.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 1.25 111.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.1 -43.32 87.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 2.4300000000000002 110.73 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -51.53 -58.39 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 2.4399999999999999 110.545 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 23' ' ' SER . 4.1 pp -65.29 -19.64 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 2.3500000000000001 110.685 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.455 ' N ' HD12 ' A' ' 22' ' ' LEU . 48.3 t -76.45 -30.4 57.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.367 -0.378 . . . . 1.6799999999999999 110.699 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -38.08 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.3100000000000001 110.937 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.28 -36.5 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 4.3399999999999999 110.578 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 26' ' ' LEU . 3.5 mm? -105.2 -17.2 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 2.2999999999999998 111.363 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' SER . 24.8 mt-30 66.11 89.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 2.6299999999999999 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -134.21 146.21 58.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 1.6000000000000001 110.8 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -40.31 106.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.583 2.189 . . . . 0.79000000000000004 112.453 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 51.8 mt-30 -53.64 -44.34 97.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 2.4300000000000002 111.731 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -45.7 -29.29 5.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.163 1.909 . . . . 0.76000000000000001 112.062 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.91 -39.57 34.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.51 . . . . 1.2 110.479 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 HG22 ' CB ' ' A' ' 19' ' ' ALA . 49.5 mm -50.46 -53.92 10.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.157 -0.474 . . . . 1.2 110.721 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.3 t70 -53.22 -30.96 40.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.948 -0.569 . . . . 1.6399999999999999 110.11 179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -25.1 37.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.494 -0.776 . . . . 1.1100000000000001 110.755 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.2 mtt -64.98 -50.62 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 2.2400000000000002 110.497 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.4 mp -77.33 -44.49 29.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.973 -0.558 . . . . 2.0299999999999998 110.84 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.51 -42.06 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 2.3300000000000001 110.682 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' HB2' ' A' ' 42' ' ' ALA . 3.9 mmp_? -70.29 -48.59 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 3.7599999999999998 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.439 ' SD ' ' CE2' ' A' ' 76' ' ' TRP . 37.9 ttm -49.63 -45.45 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.543 . . . . 2.77 110.937 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -86.35 -19.78 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 2.3399999999999999 111.027 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . -50.4 -25.22 3.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 1.1799999999999999 111.048 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 ptm -93.3 -26.18 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 3.1600000000000001 110.671 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.78 60.25 0.37 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.902 -0.666 . . . . 0.64000000000000001 112.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -76.53 -75.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.524 0.202 . . . . 2.5099999999999998 110.772 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 79' ' ' ARG . 97.8 t -152.3 -90.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.834 -0.166 . . . . 1.9399999999999999 111.332 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.3 p -140.66 136.57 35.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.774 0.321 . . . . 2.04 111.205 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 7.0 ppt_? -135.45 161.97 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.8199999999999998 111.122 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.2 mt -143.54 107.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 2.0499999999999998 111.155 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 79.6 p -76.64 124.41 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 1.45 110.959 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.07 143.01 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 2.48 110.986 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.5 t -123.95 118.21 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 1.7 111.028 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -148.75 147.9 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 2.6699999999999999 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -166.9 -65.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 5.4299999999999997 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.35 30.64 8.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 4.9100000000000001 112.409 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.4 m 59.39 175.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 6.9000000000000004 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 1.5 pt? -173.39 -179.06 1.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 7.2800000000000002 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 m -77.41 -26.31 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 8.3399999999999999 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.77 46.64 54.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.587 -0.816 . . . . 7.8399999999999999 112.411 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -76.82 -28.53 55.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 7.0700000000000003 110.932 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -157.46 -178.93 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 6.6299999999999999 110.803 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -68.87 -41.84 77.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 7.2000000000000002 110.691 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -59.91 178.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 6.0300000000000002 110.991 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 71.5 m -122.11 156.57 59.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 5.9500000000000002 110.731 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.74 -24.44 54.69 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.603 2.202 . . . . 7.4800000000000004 112.316 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.55 -47.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 7.0599999999999996 111.019 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 -33.93 5.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 6.0 112.671 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -63.44 111.77 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 7.4900000000000002 110.952 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.34 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 5.2599999999999998 111.142 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.64 172.09 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 2.7999999999999998 111.131 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.59 84.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 2.79 111.159 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 85.2 mtm180 -95.26 155.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 3.4100000000000001 111.14 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -147.62 116.09 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 2.6499999999999999 110.669 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' OE2' ' CB ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -96.85 179.0 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 2.1899999999999999 111.049 -179.627 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.442 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.8 t90 -126.51 118.38 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 4.2400000000000002 110.041 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.477 ' CZ3' HD13 ' A' ' 78' ' ' LEU . 55.5 t90 -99.12 131.0 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 3.8399999999999999 110.799 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.41 146.91 31.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.592 . . . . 1.1399999999999999 110.962 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 HD13 ' CZ3' ' A' ' 76' ' ' TRP . 2.8 mp -94.53 -175.81 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 1.71 110.722 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.448 ' N ' HG13 ' A' ' 46' ' ' VAL . 76.7 mtp180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.264 -0.874 . . . . 5.5899999999999999 110.902 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.3 pp . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.521 0.2 . . . . 0.58 111.377 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.489 ' N ' HD12 ' A' ' 4' ' ' LEU . 59.0 mtm -56.88 -27.49 60.61 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.869 0.366 . . . . 2.52 110.76 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 10' ' ' MET . 12.3 mm-40 -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 2.77 110.751 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.446 HG23 ' CE ' ' A' ' 36' ' ' MET . 64.3 t -58.82 -29.97 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.089 0.471 . . . . 1.59 110.421 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -56.42 -54.67 42.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 2.28 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -48.21 76.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 2.19 110.817 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 25.6 mmt -50.69 -48.41 58.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 1.87 110.743 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 7' ' ' VAL . 3.4 mm? -74.69 -25.06 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 2.1 110.903 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.34 65.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.09 111.093 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.1 mt -105.1 -28.34 11.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 1.99 111.133 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.49 -68.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 2.19 111.066 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.72 -116.45 3.11 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.598 -0.81 . . . . 1.53 112.543 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -72.54 101.41 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 2.73 110.905 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 mmt -152.53 169.87 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 2.04 111.073 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 10.5 pt-20 -113.97 144.67 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 2.7 110.783 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -79.81 -29.7 40.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.56 111.274 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB2' ' OE1' ' A' ' 73' ' ' GLN . 22.2 ptmt -55.49 -32.45 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 1.98 110.629 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.01 -49.47 77.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.982 -0.554 . . . . 2.17 110.774 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -64.68 -53.02 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 1.76 110.766 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB3' HD11 ' A' ' 33' ' ' ILE . 85.3 p -53.42 -41.24 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.3 110.979 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.92 87.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.975 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -58.99 -18.07 30.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 3.77 111.265 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.94 8.44 14.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.721 -0.218 . . . . 1.79 111.471 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 60.47 20.55 10.25 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.677 0.275 . . . . 2.31 111.171 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.452 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.4 m -73.91 137.89 76.36 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.446 -0.343 . . . . 0.93 110.996 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 28' ' ' THR . 82.7 Cg_exo -45.29 129.11 10.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.396 2.064 . . . . 0.64 112.188 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 96.5 mt-30 -77.73 -44.6 2.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 2.29 111.467 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 74.3 Cg_exo -50.32 -30.9 27.92 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.136 1.89 . . . . 0.71 112.196 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -72.29 -43.8 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.6 110.627 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 23' ' ' SER . 50.6 mm -48.75 -42.18 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.47 111.113 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' OD2' ' NE ' ' A' ' 72' ' ' ARG . 27.3 t70 -49.74 -41.64 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 1.64 110.504 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.13 -26.53 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.39 110.611 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.446 ' CE ' HG23 ' A' ' 7' ' ' VAL . 25.1 ttt -58.5 -56.5 21.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.885 -0.598 . . . . 1.66 110.243 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -73.28 -45.84 53.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.934 -0.575 . . . . 1.39 110.34 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.49 -45.79 66.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.955 0.407 . . . . 2.33 110.186 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -67.82 -36.99 81.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.592 . . . . 3.22 110.483 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.454 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 42.8 ttm -63.69 -49.76 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.634 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 30.3 tt0 -76.98 -17.54 58.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 2.34 111.091 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.93 -25.82 3.6 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.618 -0.265 . . . . 0.47 111.428 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.0 ptp -86.11 -26.93 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 2.71 110.594 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.34 60.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.64 112.711 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 31.8 mmtm -78.29 -80.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.61 0.243 . . . . 2.12 111.063 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.619 HG12 HG23 ' A' ' 47' ' ' VAL . 51.3 t -153.83 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.743 0.275 . . . . 1.36 111.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG23 HG12 ' A' ' 46' ' ' VAL . 94.2 t -146.96 152.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.039 0.447 . . . . 1.4 111.425 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -147.36 136.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 2.33 110.614 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.27 108.12 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 1.42 111.247 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.8 p -91.19 134.34 34.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 1.01 111.13 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -137.42 145.61 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.538 . . . . 2.48 110.824 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 1.11 111.271 -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' OD2' ' A' ' 34' ' ' ASP . 29.5 ptt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.915 0.388 . . . . 2.92 111.094 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' HB2' ' A' ' 20' ' ' LYS . 16.9 pt20 -150.41 139.07 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 2.14 110.694 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.4 pt-20 -116.3 172.53 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.002 0.429 . . . . 2.19 111.432 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 6.1 m0 -116.83 156.51 27.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.86 -0.609 . . . . 3.32 110.4 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 40' ' ' MET . 60.0 t-105 -108.5 134.93 50.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.499 -0.318 . . . . 2.88 110.75 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -147.81 145.45 28.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.981 0.419 . . . . 0.39 111.643 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.6 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.18 110.737 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.698 0.285 . . . . 0.58 111.247 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.472 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtm -52.54 -36.65 56.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 2.52 110.734 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.85 -63.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 2.77 110.677 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 4' ' ' LEU . 11.0 p -55.11 -32.89 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.209 0.528 . . . . 1.59 110.235 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.34 -49.15 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.532 -0.758 . . . . 2.28 110.857 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.24 -45.75 86.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.5 . . . . 2.19 110.793 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.2 mmt -51.6 -61.07 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 1.87 110.744 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 76' ' ' TRP . 3.5 mm? -62.14 -47.53 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 2.1 110.772 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -24.48 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 1.09 111.199 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.7 mt -106.29 -26.24 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 1.99 111.043 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.63 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 2.19 111.226 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.48 -112.1 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.833 -0.698 . . . . 1.53 112.548 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 4.5 mpt_? -110.36 121.71 45.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.589 0.233 . . . . 2.73 110.64 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 80.9 mtp -159.89 175.35 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 2.04 111.175 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 75' ' ' TRP . 1.1 pm0 -107.73 147.15 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 2.7 110.801 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 37' ' ' LEU . . . -83.55 -22.24 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.56 111.618 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 61.0 pttt -49.96 -40.13 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 1.98 110.914 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 53.4 mt-30 -66.9 -51.22 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 2.17 110.609 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.8 -44.77 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 1.76 110.646 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 79.4 p -60.01 -38.28 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 1.3 110.712 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.79 111.052 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -54.55 -30.98 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 3.77 110.739 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.28 12.71 11.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 1.79 111.315 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 57.04 109.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.824 0.345 . . . . 2.31 110.952 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 29' ' ' PRO . 86.3 m -157.38 138.04 9.22 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.93 110.898 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 28' ' ' THR . 75.5 Cg_exo -48.39 108.48 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.516 2.144 . . . . 0.64 112.42 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 47.6 mt-30 -53.75 -45.11 98.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.29 111.423 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -45.02 -40.64 15.52 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.186 1.924 . . . . 0.71 112.159 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.6 tm? -72.91 -39.92 65.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.928 -0.578 . . . . 0.6 110.68 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 23' ' ' SER . 39.4 mm -48.12 -56.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.47 111.268 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 15.4 t70 -52.56 -47.43 66.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.64 110.674 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.12 -26.57 64.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.39 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.422 ' CG ' ' HB3' ' A' ' 4' ' ' LEU . 52.3 ttp -64.05 -54.78 28.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.052 -0.522 . . . . 1.66 110.068 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 ' HG3' ' A' ' 74' ' ' GLU . 50.8 mt -65.73 -51.9 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.564 -0.744 . . . . 1.39 110.23 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' ALA . 36.9 tt0 -49.7 -43.67 47.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 2.33 110.872 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -63.49 -44.77 93.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 3.22 110.667 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ttt -58.06 -42.22 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 2.24 110.741 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.2 tm-20 -84.65 -23.04 29.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 2.34 110.688 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.64 -25.13 3.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.826 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.22 -24.32 30.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 2.71 110.612 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 116.19 60.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.896 -0.668 . . . . 0.64 112.378 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HG3' HG22 ' A' ' 46' ' ' VAL . 24.6 tptp -85.64 -71.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 2.12 110.813 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -156.04 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.514 -0.312 . . . . 1.36 111.405 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 48' ' ' ARG . 7.1 p -150.02 154.49 8.99 Favored 'Isoleucine or valine' 0 C--O 1.23 0.05 0 CA-C-O 120.861 0.362 . . . . 1.4 111.071 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.44 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.9 ppt_? -149.38 162.56 39.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 2.33 111.433 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -133.98 112.25 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 1.42 110.564 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.6 p -86.6 127.68 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.059 0.457 . . . . 1.01 111.704 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.17 153.68 49.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.685 . . . . 2.48 110.607 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.418 -0.355 . . . . 1.11 111.273 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 28.9 ptt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.972 0.415 . . . . 2.92 111.199 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.03 141.37 25.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 2.14 110.502 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HG3' HD12 ' A' ' 37' ' ' LEU . 11.7 pt-20 -116.4 172.24 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 2.19 111.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 17' ' ' MET . 2.4 t-105 -103.38 139.8 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.924 -0.58 . . . . 3.32 110.733 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 48.0 t90 -112.43 121.67 45.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 2.88 110.571 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 16' ' ' ARG . . . -152.24 164.81 36.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 0.39 111.511 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.1 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 1.18 110.952 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.686 0.279 . . . . 0.58 111.033 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.429 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.3 mmt -56.33 -39.18 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 2.52 111.01 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.94 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 2.77 111.029 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 34.1 m -62.52 -28.33 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.59 110.745 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 5' ' ' MET . 75.5 ttt180 -54.17 -60.28 3.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 2.28 110.851 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.41 -48.67 64.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 2.19 111.209 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 89.6 mmm -45.45 -49.73 13.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 1.87 111.475 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 22' ' ' LEU . 8.5 mp -81.83 -33.06 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.37 . . . . 2.1 111.076 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -53.54 -27.42 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 1.09 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.63 -23.95 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.571 . . . . 1.99 111.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -117.22 -71.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 2.19 111.04 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' HA2' HD13 ' A' ' 78' ' ' LEU . . . 107.07 153.13 19.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 1.53 112.293 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 55.93 86.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 2.73 110.817 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.0 mtp -158.27 175.05 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 2.04 110.662 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 0.8 OUTLIER -120.71 132.87 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 2.7 110.792 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -17.72 63.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.56 111.623 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 14.9 ptmm? -51.51 -43.21 62.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 1.98 110.849 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.04 -52.91 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 2.17 110.857 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 11' ' ' LEU . 79.1 mt -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.969 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -66.06 -31.97 73.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.3 110.624 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -32.9 26.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.79 110.955 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.3 -26.22 62.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 3.77 110.703 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -122.46 12.73 10.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.79 111.285 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 58.75 111.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.878 0.37 . . . . 2.31 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.468 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.3 m -159.19 139.31 8.79 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.93 111.031 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' HG23 ' A' ' 28' ' ' THR . 78.0 Cg_exo -48.81 135.51 28.42 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.571 2.181 . . . . 0.64 112.158 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 67.7 mt-30 -72.5 -43.75 9.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 2.29 111.822 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.5 Cg_exo -58.4 -17.22 32.65 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.117 1.878 . . . . 0.71 112.405 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -87.49 -49.56 7.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.6 111.117 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.96 -47.45 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.47 111.528 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 2.4 p30 -50.0 -36.72 29.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.359 . . . . 1.64 110.841 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.81 -26.72 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.39 110.563 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.75 -57.39 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 1.66 110.102 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -70.18 -47.42 61.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.763 -0.653 . . . . 1.39 109.991 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.1 -42.89 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.067 0.46 . . . . 2.33 109.953 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -60.22 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 3.22 110.081 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.401 ' HE2' HD13 ' A' ' 4' ' ' LEU . 44.4 ttm -61.13 -28.11 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 2.24 110.105 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' A' ' 45' ' ' LYS . 41.9 mm-40 -86.97 -21.73 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.857 -0.61 . . . . 2.34 110.618 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.76 -24.77 3.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.311 -0.404 . . . . 0.47 110.804 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.5 ptm -93.58 -24.61 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 2.71 110.6 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.18 59.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.64 112.452 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 46' ' ' VAL . 49.8 tptt -75.45 -61.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 2.12 110.802 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.41 -93.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 1.36 111.565 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.15 149.92 13.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 1.4 111.118 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -133.88 160.54 37.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 2.33 111.118 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.58 97.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 1.42 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 89.8 p -81.88 117.91 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.01 111.22 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -129.32 153.54 47.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 2.48 111.006 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.11 111.082 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.366 . . . . 2.92 111.239 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -142.43 130.33 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 2.14 110.433 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HG3' HD22 ' A' ' 37' ' ' LEU . 12.7 pt-20 -103.36 172.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 2.19 111.621 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.448 ' CG ' ' HB3' ' A' ' 18' ' ' GLU . 5.1 m0 -114.75 145.92 41.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 3.32 110.446 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.62 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 17.2 t90 -101.02 129.47 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.466 -0.334 . . . . 2.88 110.798 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.04 146.2 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.39 111.267 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.0 -0.546 . . . . 1.18 110.834 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 5' ' ' MET . 4.1 pp . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.584 0.231 . . . . 0.58 111.429 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.519 ' N ' HD12 ' A' ' 4' ' ' LEU . 70.0 mtm -56.92 -43.6 81.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 2.52 111.143 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.05 -63.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 2.77 111.201 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 HD22 ' A' ' 11' ' ' LEU . 55.2 t -58.58 -26.61 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.59 110.851 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 72.5 ttt180 -60.83 -58.67 7.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 2.28 110.804 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.56 -51.76 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 2.19 111.516 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -45.2 -48.42 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.394 . . . . 1.87 111.62 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD22 HG12 ' A' ' 7' ' ' VAL . 8.3 mp -81.68 -35.51 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 2.1 111.292 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -55.75 -23.37 29.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.438 -0.346 . . . . 1.09 111.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.21 -23.32 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 1.99 111.099 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -112.5 -66.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 2.19 111.06 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.89 -115.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 1.53 112.522 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.6 mpt_? -53.06 108.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 2.73 110.859 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.405 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 81.1 mtp -159.12 175.08 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.04 110.915 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.3 pt-20 -138.81 144.74 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 2.7 111.056 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -79.85 -18.84 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.56 111.512 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -47.14 -42.11 18.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 1.98 111.464 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.76 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.335 -0.393 . . . . 2.17 111.089 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 23' ' ' SER . 4.2 pp -67.55 -19.4 65.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 1.76 111.488 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.539 ' N ' HD12 ' A' ' 22' ' ' LEU . 97.8 p -71.26 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.66 0.267 . . . . 1.3 110.783 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -23.55 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 0.79 111.153 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' C ' HD22 ' A' ' 26' ' ' LEU . 20.7 tpt180 -56.94 -29.22 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 3.77 111.128 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.1 mm? -119.44 12.6 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.381 . . . . 1.79 111.437 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 63.42 17.67 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.564 0.221 . . . . 2.31 111.195 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 29' ' ' PRO . 63.6 m -65.3 138.84 97.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.705 -0.225 . . . . 0.93 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 28' ' ' THR . 88.7 Cg_exo -46.15 121.24 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.465 2.11 . . . . 0.64 112.361 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 89.7 mt-30 -71.75 -44.03 11.72 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.051 -0.522 . . . . 2.29 111.643 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 58.8 Cg_exo -50.72 -26.06 16.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.176 1.917 . . . . 0.71 112.176 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.8 tm? -83.4 -40.94 18.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.6 110.514 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -47.77 -49.18 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.47 111.244 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 14.6 t70 -56.86 -42.93 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.64 110.82 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 39' ' ' ARG . . . -74.62 -27.43 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.652 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.8 ttp -66.08 -53.1 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 1.66 110.02 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.668 HD12 ' HG3' ' A' ' 74' ' ' GLU . 45.7 mt -62.24 -55.6 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 1.39 110.097 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.9 tt0 -53.83 -38.71 64.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 2.33 110.303 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 18.7 tpp180 -55.03 -52.74 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 3.22 110.589 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' A' ' 45' ' ' LYS . 15.1 tpt -57.28 -45.42 84.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.279 -0.418 . . . . 2.24 110.556 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.0 tm-20 -72.21 -22.45 61.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 2.34 110.775 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.45 -24.84 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.842 0.354 . . . . 0.47 110.863 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.3 mtm -85.53 -26.89 25.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 2.71 110.5 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.67 63.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.817 -0.706 . . . . 0.64 112.885 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HG3' ' HG3' ' A' ' 40' ' ' MET . 28.8 mmmt -88.0 -84.91 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.586 0.232 . . . . 2.12 111.019 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.444 HG12 HG22 ' A' ' 47' ' ' VAL . 85.3 t -143.18 -90.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 1.36 111.278 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 77' ' ' ALA . 19.9 m -154.09 164.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 121.035 0.445 . . . . 1.4 111.548 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 48' ' ' ARG . 7.2 ppt_? -150.5 161.98 41.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 2.33 110.576 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.7 105.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 1.42 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.4 p -89.06 123.3 33.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 1.01 111.433 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.66 155.2 50.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.045 -0.525 . . . . 2.48 110.91 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 1.11 111.06 179.805 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 6.0 ptp180 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.887 0.375 . . . . 2.92 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -143.38 137.29 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.834 -0.621 . . . . 2.14 110.261 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.668 ' HG3' HD12 ' A' ' 37' ' ' LEU . 12.9 pt-20 -114.91 -176.94 3.01 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.657 -0.417 . . . . 2.19 111.695 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 33.0 m0 -117.31 152.85 34.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.838 -0.619 . . . . 3.32 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.673 ' CD1' HD11 ' A' ' 78' ' ' LEU . 72.3 t-105 -111.64 118.91 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 2.88 110.81 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -128.19 133.63 48.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.39 111.216 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 76' ' ' TRP . 4.5 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 1.18 110.937 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.606 0.241 . . . . 0.58 111.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.485 ' N ' HD12 ' A' ' 4' ' ' LEU . 19.0 ptm -48.41 -36.13 14.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.917 0.389 . . . . 2.52 111.076 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.68 -63.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 2.77 110.792 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 4' ' ' LEU . 7.8 p -56.52 -29.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.418 . . . . 1.59 110.593 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -57.99 -56.06 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.88 -0.6 . . . . 2.28 110.68 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.73 -45.88 92.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 2.19 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.6 mmt -50.42 -60.05 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.87 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' CE3' ' A' ' 76' ' ' TRP . 4.3 mm? -63.57 -47.77 80.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 2.1 111.127 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.7 -24.85 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 1.09 111.321 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 mt -111.96 16.53 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 1.99 111.569 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -138.1 -80.01 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.692 0.282 . . . . 2.19 111.074 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' HA3' ' NH1' ' A' ' 16' ' ' ARG . . . 142.45 -82.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.677 -0.773 . . . . 1.53 112.751 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -100.5 106.67 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.676 0.274 . . . . 2.73 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 71.9 mtp -161.5 173.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 2.04 111.018 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 17.0 pt-20 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 2.7 110.598 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -80.94 -12.83 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.56 111.593 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -47.77 -62.43 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.347 . . . . 1.98 111.315 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -56.46 -58.13 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 2.17 110.852 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.8 mt -52.19 -35.36 48.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 1.76 110.706 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.431 ' HB2' HD11 ' A' ' 33' ' ' ILE . 42.7 t -62.24 -50.84 70.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 1.3 110.969 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.79 110.817 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.67 -22.55 64.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 3.77 111.158 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.63 -7.52 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 1.79 111.613 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 65.7 19.5 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.594 0.235 . . . . 2.31 111.205 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' HD2' ' A' ' 29' ' ' PRO . 43.0 m -80.4 138.89 51.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.509 -0.314 . . . . 0.93 110.924 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 28' ' ' THR . 87.3 Cg_exo -46.44 130.85 14.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.451 2.101 . . . . 0.64 112.392 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.2 mp0 -68.49 -46.33 36.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 2.29 111.359 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.4 Cg_exo -45.09 -31.59 5.9 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.22 1.946 . . . . 0.71 112.339 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.9 tm? -72.94 -33.05 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.6 110.475 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 19' ' ' ALA . 48.0 mm -51.32 -53.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.47 110.867 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB2' ' HG3' ' A' ' 72' ' ' ARG . 12.9 t70 -48.8 -38.11 21.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.029 0.442 . . . . 1.64 110.435 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -81.47 -26.0 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.687 -0.688 . . . . 0.39 110.746 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.9 ttm -61.59 -52.05 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 1.66 110.529 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.544 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.6 mm? -77.63 -50.65 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.39 109.932 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.24 -44.03 43.28 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.946 -0.57 . . . . 2.33 110.563 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 28.1 ttm180 -66.52 -54.34 24.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 3.22 110.268 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.452 ' HG2' ' HG3' ' A' ' 45' ' ' LYS . 25.6 ttt -54.25 -37.95 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 2.24 110.373 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.8 tm-20 -84.64 -18.11 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 2.34 110.845 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.22 3.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.425 -0.352 . . . . 0.47 111.101 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.3 ptp -84.28 -27.22 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.71 110.41 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 112.38 54.33 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.826 -0.702 . . . . 0.64 112.659 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 32.5 mmmt -69.48 -72.49 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.694 0.283 . . . . 2.12 110.995 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.05 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 1.36 111.463 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.76 159.64 9.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 1.4 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 4.3 ppt_? -150.17 162.47 40.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 2.33 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.77 105.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 1.42 111.098 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.46 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.2 p -82.6 120.25 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 1.01 111.141 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -126.19 151.26 47.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.83 -0.623 . . . . 2.48 110.943 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 1.11 111.068 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 34' ' ' ASP . 22.1 ptt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.737 0.303 . . . . 2.92 110.755 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -142.12 140.97 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.385 . . . . 2.14 110.945 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -118.62 153.15 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 2.19 111.271 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 9.5 t-105 -91.27 153.79 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.798 -0.637 . . . . 3.32 110.629 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.529 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 59.4 t90 -129.46 124.53 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 2.88 110.992 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.53 169.45 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.39 111.337 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 1.18 110.792 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.547 0.213 . . . . 0.58 111.342 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.54 ' N ' HD12 ' A' ' 4' ' ' LEU . 1.6 mpt? -64.9 -34.31 78.09 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 2.52 110.686 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 2.77 110.508 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.6 -30.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.59 110.254 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -56.81 -44.93 82.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 2.28 110.533 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 2.19 110.461 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mmt -50.83 -53.97 27.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 1.87 110.523 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HG ' ' CG ' ' A' ' 76' ' ' TRP . 3.8 mm? -70.74 -29.27 65.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 2.1 110.995 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -33.77 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.09 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -93.53 -45.88 7.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.99 111.205 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -94.03 -76.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 2.19 111.014 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.82 155.01 23.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 1.53 112.442 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.0 OUTLIER 56.31 89.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.631 0.253 . . . . 2.73 111.12 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.451 ' O ' ' CD1' ' A' ' 75' ' ' TRP . 62.0 mtm -161.95 175.78 11.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 2.04 110.942 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -115.66 152.71 32.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.579 . . . . 2.7 110.581 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -81.9 -14.01 56.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.56 111.453 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HA ' ' HG ' ' A' ' 23' ' ' SER . 62.8 pttt -67.48 -46.12 73.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.744 0.307 . . . . 1.98 110.896 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 17.9 mm-40 -61.31 -55.02 36.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 2.17 110.969 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.56 -39.24 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.76 110.993 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 20' ' ' LYS . 89.5 p -68.3 -39.24 82.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.3 110.805 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.42 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.535 . . . . 0.79 111.142 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -62.42 -26.56 68.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 3.77 110.815 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.3 mt -125.84 14.26 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.79 111.42 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 56.42 105.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 2.31 110.856 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -150.87 138.55 12.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.517 . . . . 0.93 110.779 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 28' ' ' THR . 90.3 Cg_exo -44.09 108.24 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.517 2.145 . . . . 0.64 112.39 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 43.6 mt-30 -58.04 -44.24 99.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 2.29 111.642 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 69.0 Cg_exo -50.47 -26.64 16.8 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.149 1.899 . . . . 0.71 112.228 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -84.66 -41.06 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.6 110.684 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.54 HG23 ' HB1' ' A' ' 19' ' ' ALA . 49.6 mm -47.64 -52.53 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.47 111.402 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 72' ' ' ARG . 8.5 t70 -48.87 -36.68 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 1.64 110.748 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.65 -25.56 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.711 -0.677 . . . . 0.39 110.874 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.465 ' HB3' ' HE2' ' A' ' 36' ' ' MET . 51.8 ttp -63.33 -53.45 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 1.66 110.907 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 19' ' ' ALA . 6.1 mp -74.87 -44.64 47.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 1.39 111.078 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.93 -42.64 90.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 2.33 110.948 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 33.3 ttm180 -70.07 -41.65 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 3.22 110.997 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 15.9 tpt -51.22 -55.44 18.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 2.24 110.776 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.65 -20.71 58.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 2.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -51.2 -25.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.47 110.891 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 79.9 mmm -98.06 -23.34 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 2.71 110.816 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.04 82.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.699 -0.762 . . . . 0.64 112.443 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 52.5 tptt -103.71 -87.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.537 0.208 . . . . 2.12 111.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG12 HG23 ' A' ' 47' ' ' VAL . 99.5 t -157.43 -84.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 116.623 -0.262 . . . . 1.36 111.172 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG23 HG12 ' A' ' 46' ' ' VAL . 97.8 t -145.1 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.871 0.367 . . . . 1.4 111.108 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 3.4 ppt_? -152.95 162.43 41.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 2.33 110.532 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 75' ' ' TRP . 10.0 mt -133.51 107.9 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 1.42 111.166 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.425 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 78.7 p -77.05 110.11 11.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 1.01 110.899 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.44 138.74 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.11 110.94 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 76.3 mtm180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.955 0.407 . . . . 2.92 111.189 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' CD ' ' A' ' 20' ' ' LYS . 6.6 pt20 -151.98 115.58 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 2.14 110.64 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -93.8 -169.81 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 2.19 110.824 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.521 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 4.8 t-105 -126.18 147.07 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.749 -0.659 . . . . 3.32 110.632 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.521 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 3.0 t90 -113.63 111.88 22.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 2.88 110.298 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.82 138.47 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.39 111.355 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.2 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 1.18 110.705 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.6 pp . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.673 0.273 . . . . 0.58 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.453 ' N ' HD12 ' A' ' 4' ' ' LEU . 38.3 tpp -51.62 -46.18 63.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.454 -0.339 . . . . 2.52 110.935 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -58.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 2.77 110.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 22' ' ' LEU . 57.8 t -56.33 -33.51 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 1.59 110.482 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -57.03 -59.15 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.834 -0.621 . . . . 2.28 110.975 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.22 -43.58 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 2.19 110.987 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.3 mtp -49.06 -56.49 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.87 111.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.0 mp -80.27 -35.03 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.39 . . . . 2.1 111.133 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -21.08 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.09 111.548 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.8 27.8 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 1.99 111.229 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -148.71 -58.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 2.19 111.044 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.58 -116.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 1.53 112.482 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.5 mpt_? -71.47 109.28 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 2.73 110.92 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.444 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 85.9 mtp -154.3 156.21 36.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.04 110.811 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' OE1' ' CE2' ' A' ' 75' ' ' TRP . 24.2 mt-10 -105.23 148.75 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.7 110.894 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -80.55 -20.96 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.56 111.12 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 21.8 ptmt -64.86 -26.44 68.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.295 -0.412 . . . . 1.98 111.153 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.85 -58.28 9.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 2.17 110.978 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -69.41 -32.55 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 1.76 111.019 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.507 ' HA ' HG22 ' A' ' 28' ' ' THR . 56.2 p -60.59 -39.27 87.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 1.3 110.684 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.25 28.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.093 -0.503 . . . . 0.79 111.048 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 3.77 110.811 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 22' ' ' LEU . 3.8 mm? -101.18 -15.52 17.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 1.79 111.328 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' SER . 54.9 mt-30 64.42 82.32 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.796 0.331 . . . . 2.31 111.261 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 23' ' ' SER . 14.5 t -139.93 146.03 45.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.93 110.831 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.07 116.56 0.6 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.48 2.12 . . . . 0.64 112.5 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.3 mm-40 -61.59 -43.86 89.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 2.29 111.645 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -53.4 -45.91 37.65 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.136 1.891 . . . . 0.71 112.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.541 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.6 110.643 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.428 HG23 ' HE2' ' A' ' 36' ' ' MET . 49.9 mm -48.23 -44.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.47 110.984 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' CD ' ' A' ' 72' ' ' ARG . 17.5 t70 -50.06 -38.39 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.64 110.875 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.62 -25.38 45.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.39 110.998 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE2' HG23 ' A' ' 33' ' ' ILE . 44.0 ttp -63.14 -57.08 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.66 110.374 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 6.6 mp -70.59 -41.48 72.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.545 . . . . 1.39 110.133 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 37.6 tt0 -53.08 -42.88 66.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.121 -0.49 . . . . 2.33 110.18 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -67.52 -45.86 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 3.22 110.481 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.41 -45.61 80.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 2.24 110.437 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.37 -28.63 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 2.34 110.234 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.19 -25.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 0.47 110.859 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.73 -25.1 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 2.71 110.749 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.58 69.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.64 112.569 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' CZ2' ' A' ' 76' ' ' TRP . 3.1 tppp? -92.0 -76.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.605 0.241 . . . . 2.12 110.908 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 HG13 ' A' ' 47' ' ' VAL . 99.4 t -154.06 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.508 -0.315 . . . . 1.36 111.16 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG13 HG12 ' A' ' 46' ' ' VAL . 34.5 m -142.72 147.34 20.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 1.4 111.449 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 38' ' ' GLU . 21.5 ptt180 -135.4 150.31 49.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 2.33 110.805 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.543 HG21 ' CZ3' ' A' ' 75' ' ' TRP . 34.1 mm -129.05 102.37 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.846 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 78.6 p -90.89 116.99 29.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.966 0.412 . . . . 1.01 111.263 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -124.96 157.32 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.967 -0.561 . . . . 2.48 110.694 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 1.11 111.328 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' CD ' ' OD1' ' A' ' 34' ' ' ASP . 8.6 ptp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.022 0.439 . . . . 2.92 111.204 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 17.4 pt20 -144.11 131.25 20.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 2.14 110.485 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.8 pt-20 -107.35 168.74 9.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.041 0.448 . . . . 2.19 111.78 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.543 ' CZ3' HG21 ' A' ' 49' ' ' ILE . 3.0 m0 -113.96 153.52 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 3.32 109.984 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.616 ' CZ2' HD11 ' A' ' 78' ' ' LEU . 26.1 t90 -121.41 140.15 52.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 2.88 111.534 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -148.23 137.07 21.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.39 111.113 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.5 mp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 1.18 110.698 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD13 ' SD ' ' A' ' 40' ' ' MET . 4.3 pp . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.533 0.206 . . . . 0.58 111.515 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.504 ' N ' HD12 ' A' ' 4' ' ' LEU . 85.2 mtp -60.15 -40.99 91.81 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.786 0.327 . . . . 2.52 110.97 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.64 -63.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 2.77 110.751 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.0 t -55.96 -40.92 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 116.158 -0.474 . . . . 1.59 110.051 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -47.73 -56.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 2.28 110.893 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.06 -45.89 79.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 2.19 110.239 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 92.8 mmm -52.53 -28.81 22.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.87 110.559 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' A' ' 76' ' ' TRP . 75.4 mt -76.15 -56.13 4.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 2.1 111.108 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -54.13 -23.03 12.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 1.09 111.474 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 2.2 mp -107.46 17.81 22.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 1.99 111.845 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 53.4 mt-30 -158.34 -77.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 2.19 111.363 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 78' ' ' LEU . . . 133.34 -108.84 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 1.53 112.214 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -59.23 123.89 18.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 2.73 110.588 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' TRP . 57.5 mtp -160.43 175.92 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 2.04 111.165 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.9 pt-20 -148.55 141.86 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 2.7 110.855 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -75.42 -23.4 56.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.56 110.987 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -49.43 -60.0 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 1.98 111.218 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -53.85 -53.92 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 2.17 110.992 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.82 -37.04 73.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 1.76 111.065 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.5 m -66.22 -44.29 84.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 1.3 111.186 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.77 -21.79 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.79 111.587 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -84.34 -30.44 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 3.77 111.156 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.6 mm? -108.53 0.48 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.79 111.607 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 64.03 100.92 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.883 0.373 . . . . 2.31 110.835 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.53 HG23 ' HD2' ' A' ' 29' ' ' PRO . 87.8 m -163.22 139.19 5.4 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.155 -0.475 . . . . 0.93 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' HG23 ' A' ' 28' ' ' THR . 89.4 Cg_exo -43.47 138.18 5.3 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.213 . . . . 0.64 112.301 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mp0 -77.17 -44.74 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 2.29 111.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.0 Cg_exo -51.82 -47.62 25.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.15 1.9 . . . . 0.71 112.273 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.0 tm? -53.11 -45.72 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.6 110.716 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 47.3 mm -47.59 -40.43 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.47 111.267 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 74' ' ' GLU . 16.0 t70 -51.34 -38.39 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 1.64 110.801 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.41 -30.86 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.874 -0.603 . . . . 0.39 111.348 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.411 ' HE2' HG23 ' A' ' 33' ' ' ILE . 53.1 ttp -58.29 -51.41 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 1.66 111.242 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 76' ' ' TRP . 4.7 mp -79.4 -46.74 16.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 1.39 111.085 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 12.6 mm-40 -56.93 -41.61 78.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.316 . . . . 2.33 110.904 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 79.0 ttt180 -70.42 -56.23 7.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 3.22 110.617 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.552 ' SD ' HD13 ' A' ' 4' ' ' LEU . 15.1 tpt -52.94 -34.29 54.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 2.24 110.608 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.13 -27.0 24.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 2.34 110.482 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.43 -24.99 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.47 110.936 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.73 -24.82 33.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.336 -0.393 . . . . 2.71 110.585 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 56.54 0.3 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.799 -0.715 . . . . 0.64 112.688 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 76' ' ' TRP . 58.1 tptt -70.2 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.529 0.204 . . . . 2.12 110.843 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG11 ' HA ' ' A' ' 78' ' ' LEU . 75.7 t -157.55 -78.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.629 -0.259 . . . . 1.36 110.999 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 HG12 ' A' ' 46' ' ' VAL . 67.4 t -152.04 135.68 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.4 111.262 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.422 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 5.2 ppt_? -133.31 162.68 31.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 2.33 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' TRP . 69.7 mt -134.87 113.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 1.42 111.135 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -86.46 115.72 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 1.01 110.698 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CB ' ' CZ2' ' A' ' 75' ' ' TRP . 10.0 tp10 -134.67 156.74 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 2.48 111.079 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.11 111.096 179.871 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 2.92 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.36 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 2.14 110.95 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -94.81 171.77 8.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 2.19 110.669 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 13.6 m0 -125.02 149.61 47.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 3.32 110.763 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.504 ' CG ' HD11 ' A' ' 11' ' ' LEU . 49.6 m95 -95.82 147.68 23.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 2.88 111.193 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 126.79 3.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.057 -0.52 . . . . 0.39 111.05 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 78' ' ' LEU . 5.0 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.18 110.94 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.633 0.254 . . . . 0.58 111.095 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.448 ' N ' HD12 ' A' ' 4' ' ' LEU . 23.0 ttt -56.88 -40.69 76.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 2.52 110.992 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.28 -64.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 2.77 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.56 -38.13 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 1.59 110.37 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -49.89 -59.27 4.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.661 -0.7 . . . . 2.28 111.04 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 2.19 111.246 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.402 ' HE2' HD11 ' A' ' 22' ' ' LEU . 82.4 mtp -50.71 -55.78 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.87 111.065 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 11' ' ' LEU . 7.6 mp -73.81 -42.89 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 2.1 111.027 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -50.17 -26.82 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.09 111.133 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD12 ' C ' ' A' ' 12' ' ' ALA . 2.6 mp -112.15 20.73 16.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 1.99 111.376 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -136.74 -48.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.498 -0.319 . . . . 2.19 110.953 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.82 -132.72 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 1.53 112.646 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -87.78 139.73 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 2.73 110.972 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.47 175.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 2.04 111.151 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 15.1 pt-20 -133.71 163.16 30.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 2.7 110.801 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -79.85 -22.68 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.56 111.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 55.4 tttp -48.01 -53.16 17.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.37 -0.377 . . . . 1.98 111.016 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -53.96 -51.37 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.17 110.966 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD11 ' HE2' ' A' ' 10' ' ' MET . 87.3 mt -65.69 -28.89 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.76 110.829 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' THR . 44.0 t -78.11 -27.04 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 1.3 110.91 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 -33.78 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.79 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -61.91 -24.68 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 3.77 110.966 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.53 8.36 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 1.79 111.665 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.22 21.73 12.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.703 0.287 . . . . 2.31 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' HD2' ' A' ' 29' ' ' PRO . 90.5 m -66.36 140.16 96.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 0.93 111.005 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HD2' HG23 ' A' ' 28' ' ' THR . 71.1 Cg_exo -48.51 132.77 25.41 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.64 112.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 48.0 mt-30 -82.89 -44.33 0.89 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 2.29 111.628 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 77.9 Cg_exo -48.13 -39.22 33.71 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.308 2.005 . . . . 0.71 112.418 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.5 tm? -67.8 -44.07 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.6 110.847 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 48.5 mm -48.46 -36.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.47 111.372 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.9 t70 -47.49 -37.53 12.05 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.147 0.499 . . . . 1.64 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.7 -29.47 32.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.734 . . . . 0.39 110.762 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.41 ' HB3' HD22 ' A' ' 37' ' ' LEU . 42.2 tpp -56.64 -49.52 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 1.66 110.386 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -78.84 -46.62 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 1.39 110.568 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.88 -45.18 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 2.33 110.405 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 77.1 ttt180 -66.7 -48.51 69.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.011 -0.541 . . . . 3.22 110.583 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.409 ' HB2' ' HE3' ' A' ' 40' ' ' MET . 41.4 ttm -54.87 -49.39 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 2.24 110.449 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' A' ' 48' ' ' ARG . 18.1 mm-40 -74.99 -17.92 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 2.34 111.198 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.44 -26.62 5.25 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.91 0.386 . . . . 0.47 111.156 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.4 mmt -82.2 -23.7 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 2.71 110.706 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.72 45.24 1.14 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.76 -0.733 . . . . 0.64 112.283 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 75.0 mmtt -52.69 -80.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.695 0.284 . . . . 2.12 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.493 HG12 HG23 ' A' ' 47' ' ' VAL . 21.5 t -156.52 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 1.36 110.984 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG23 HG12 ' A' ' 46' ' ' VAL . 96.1 t -149.78 149.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 1.4 110.83 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -157.93 139.67 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 2.33 110.884 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.6 mm -118.38 127.43 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 1.42 111.283 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 88.3 p -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 1.01 110.857 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.84 144.91 49.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 2.48 111.18 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.11 111.053 179.737 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.895 0.378 . . . . 2.92 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -134.91 146.1 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 2.14 110.767 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -103.59 178.01 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 2.19 111.153 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CE3' ' OE2' ' A' ' 18' ' ' GLU . 3.0 t-105 -126.35 140.08 52.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 3.32 110.33 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 69.7 t90 -107.07 115.92 31.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 2.88 110.8 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB1' ' HG3' ' A' ' 16' ' ' ARG . . . -144.83 160.45 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.39 111.294 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.0 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 1.18 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.866 HD13 ' HE2' ' A' ' 40' ' ' MET . 4.0 pp . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.534 0.207 . . . . 0.58 111.552 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.514 ' N ' HD12 ' A' ' 4' ' ' LEU . 47.1 ttm -49.55 -50.56 41.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 2.52 111.231 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' MET . 11.1 tp10 -52.05 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 2.77 110.781 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 4' ' ' LEU . 29.6 m -54.75 -29.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.151 0.501 . . . . 1.59 110.205 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' MET . 38.6 ttt180 -54.25 -56.28 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 2.28 110.292 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.79 -38.96 90.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 2.19 110.641 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 82.2 mmm -49.29 -57.61 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 1.87 110.973 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 17' ' ' MET . 3.6 mm? -62.55 -38.72 91.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 2.1 111.003 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.63 -40.14 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 1.09 111.263 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -50.1 -58.99 4.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 1.99 111.175 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.41 -74.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 2.19 111.035 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 156.14 -37.62 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 1.53 112.658 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 10.3 mpt_? -104.49 103.03 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 2.73 111.29 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.611 ' HB2' HD13 ' A' ' 11' ' ' LEU . 48.1 mtt -155.01 173.75 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 2.04 110.854 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -149.62 156.76 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 2.7 111.08 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' HE1' ' A' ' 36' ' ' MET . . . -83.03 -13.58 55.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.56 111.617 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 85.5 tttt -46.93 -56.02 7.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.678 0.275 . . . . 1.98 111.342 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.58 -52.3 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 2.17 110.812 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.6 mp -58.85 -30.62 67.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.76 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -73.65 -30.39 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.3 110.986 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.37 -27.32 29.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.79 111.186 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -92.32 -20.91 20.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 3.77 111.181 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.56 -16.6 14.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 1.79 111.403 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.61 97.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 2.31 110.671 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.549 HG23 ' HD2' ' A' ' 29' ' ' PRO . 82.0 m -154.21 139.53 12.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.93 111.002 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 28' ' ' THR . 85.4 Cg_exo -39.33 119.51 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.652 2.234 . . . . 0.64 112.542 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 20.9 mp0 -65.74 -43.81 61.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 2.29 111.731 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -52.99 -19.97 12.52 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.146 1.897 . . . . 0.71 112.375 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -87.26 -42.17 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.6 110.286 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 48.9 mm -50.17 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.47 111.38 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 4.1 p30 -48.49 -39.01 21.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.865 0.364 . . . . 1.64 110.921 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.3 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.39 110.719 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.432 ' HE1' ' CB ' ' A' ' 19' ' ' ALA . 55.1 ttp -61.92 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 1.66 110.306 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD12 ' HG3' ' A' ' 74' ' ' GLU . 82.6 mt -64.29 -49.56 71.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.014 -0.539 . . . . 1.39 110.131 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' ALA . 10.1 tp10 -53.48 -37.74 62.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 2.33 110.484 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -61.37 -59.33 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 3.22 111.021 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.866 ' HE2' HD13 ' A' ' 4' ' ' LEU . 42.8 tpp -56.62 -36.29 69.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 2.24 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.71 -20.18 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 2.34 111.157 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -39.14 42.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.47 111.243 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.42 -26.71 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 2.71 110.623 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.42 55.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.756 -0.735 . . . . 0.64 112.805 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 40' ' ' MET . 60.3 mmtt -65.84 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 2.12 111.135 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG12 HG23 ' A' ' 47' ' ' VAL . 99.1 t -153.81 -84.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 1.36 111.207 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.57 HG23 HG12 ' A' ' 46' ' ' VAL . 98.8 t -144.2 139.66 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.825 0.345 . . . . 1.4 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -131.89 162.52 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 2.33 111.021 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.8 mt -145.34 111.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 1.42 110.951 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 29.2 t -93.6 117.9 30.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.01 111.211 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.76 154.31 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 2.48 110.748 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 1.11 111.048 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HG3' ' OD2' ' A' ' 34' ' ' ASP . 10.0 ptp180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.875 0.369 . . . . 2.92 111.099 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -147.99 135.28 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 2.14 110.498 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.52 ' HG3' HD12 ' A' ' 37' ' ' LEU . 13.0 pt-20 -105.85 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.102 0.477 . . . . 2.19 111.888 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 2.1 t-105 -120.14 140.27 51.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 3.32 110.287 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.579 ' O ' HD11 ' A' ' 11' ' ' LEU . 10.3 t90 -110.32 117.77 34.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.938 0.399 . . . . 2.88 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -134.72 138.68 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.39 111.143 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.8 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 1.18 110.657 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.573 0.225 . . . . 0.58 111.324 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.484 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtt -60.7 -29.99 69.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 2.52 110.941 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.92 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 2.77 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 19' ' ' ALA . 97.0 t -57.85 -32.9 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.142 -0.481 . . . . 1.59 110.415 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.01 -61.25 2.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 2.28 110.786 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.29 -51.2 59.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 2.19 110.498 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -58.85 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.87 110.368 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 ' CZ3' ' A' ' 76' ' ' TRP . 21.1 tp -66.01 -58.33 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 2.1 110.603 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.77 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 1.09 110.994 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.55 3.36 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 1.99 111.626 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -151.63 -69.48 0.17 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.815 0.341 . . . . 2.19 110.907 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 99.8 136.75 9.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 1.53 112.421 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.2 mpt_? 55.77 94.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.703 0.287 . . . . 2.73 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.404 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 68.9 mtm -159.64 175.14 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 2.04 110.82 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -123.18 149.09 45.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 2.7 110.741 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.14 -18.72 41.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.56 111.479 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -52.81 -43.28 65.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 1.98 111.128 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.22 -57.54 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 2.17 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.24 -29.2 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 1.76 111.041 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.7 t -76.45 -25.94 54.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.807 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.5 -42.75 52.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.79 110.802 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -72.72 -28.74 62.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 3.77 110.86 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -96.86 -16.26 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.79 111.542 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 64.01 93.34 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.821 0.344 . . . . 2.31 111.01 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.462 HG23 ' HD2' ' A' ' 29' ' ' PRO . 40.1 m -151.07 138.91 12.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.93 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 28' ' ' THR . 82.6 Cg_exo -44.49 132.95 9.78 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.425 2.083 . . . . 0.64 112.414 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.1 mp0 -65.86 -46.0 65.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 2.29 111.579 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 88.9 Cg_exo -45.57 -39.89 17.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.257 1.971 . . . . 0.71 112.143 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -68.57 -51.47 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.6 110.678 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.8 mm -47.85 -47.21 12.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.281 -0.418 . . . . 0.47 110.957 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 14.6 t70 -58.36 -39.03 78.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.64 110.393 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -26.32 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.39 110.752 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.06 -60.22 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 1.66 110.142 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 37' ' ' LEU . 6.4 mp -67.31 -45.89 75.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.864 -0.607 . . . . 1.39 109.863 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' ALA . 39.0 tt0 -52.85 -54.02 40.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 2.33 109.952 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -53.86 -39.31 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.65 . . . . 3.22 110.347 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.4 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 16.8 tpt -64.55 -62.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.598 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.77 -17.87 64.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 2.34 110.965 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -24.52 2.97 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.786 0.327 . . . . 0.47 111.236 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.405 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 59.1 mtt -87.64 -25.27 23.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 2.71 110.724 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.51 56.65 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.816 -0.707 . . . . 0.64 112.516 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 3.4 mptp? -71.74 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.618 0.247 . . . . 2.12 111.089 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 78' ' ' LEU . 58.6 t -144.01 -83.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.61 -0.268 . . . . 1.36 111.595 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 77' ' ' ALA . 33.5 m -146.83 142.11 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 CA-C-O 121.053 0.454 . . . . 1.4 111.771 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' HD13 ' A' ' 49' ' ' ILE . 5.9 ppt_? -141.46 159.65 41.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 2.33 110.348 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 48' ' ' ARG . 40.9 mm -132.61 113.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 1.42 111.329 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.454 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.8 p -95.58 119.37 33.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 1.01 111.296 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -133.6 146.58 51.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 2.48 110.553 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 1.11 111.342 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 29.3 ptt180 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.817 0.341 . . . . 2.92 110.8 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -150.43 121.99 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 2.14 110.907 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.4 pt-20 -107.09 179.16 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.896 0.379 . . . . 2.19 111.281 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.52 ' CD1' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m0 -126.05 146.27 49.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 3.32 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.478 ' CZ3' HD21 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -102.96 125.78 49.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 2.88 110.611 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 47' ' ' VAL . . . -145.73 165.74 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.153 0.502 . . . . 0.39 111.845 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.9 mp . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 1.18 110.708 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.698 0.285 . . . . 0.58 111.228 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.454 ' N ' HD12 ' A' ' 4' ' ' LEU . 24.9 ptm -54.3 -35.63 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 2.52 111.049 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.27 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.531 . . . . 2.77 110.656 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG22 HD13 ' A' ' 11' ' ' LEU . 13.8 p -61.68 -29.09 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.488 -0.778 . . . . 1.59 110.32 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -53.85 -60.53 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.524 -0.762 . . . . 2.28 110.958 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.3 -45.49 91.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 2.19 111.201 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 94.8 mmm -47.13 -56.81 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 1.87 111.3 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.505 HD13 HG22 ' A' ' 7' ' ' VAL . 8.3 mp -74.59 -25.16 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 2.1 110.856 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -54.28 -39.73 67.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 1.09 110.915 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 12' ' ' ALA . 3.2 mp -107.76 27.53 9.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.542 . . . . 1.99 110.98 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.425 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . 7.4 tp60 -127.86 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.19 110.852 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.73 -125.95 3.14 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.7 -0.762 . . . . 1.53 112.435 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.7 mpt_? -74.88 123.13 24.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.706 0.289 . . . . 2.73 110.761 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 7.4 mtp -170.2 175.55 4.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 2.04 111.188 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 16.3 pt-20 -141.47 141.75 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 2.7 110.705 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -64.06 -20.34 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.56 111.194 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -48.33 -51.68 25.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 1.98 111.132 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -55.22 -56.12 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 2.17 110.741 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.57 -26.49 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 1.76 111.035 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -62.02 -49.11 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 1.3 110.927 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.47 -34.64 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.79 111.124 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -68.22 -26.59 65.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 3.77 111.016 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.83 11.67 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.79 111.382 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 57.1 107.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.895 0.379 . . . . 2.31 110.991 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.503 HG23 ' HD2' ' A' ' 29' ' ' PRO . 85.6 m -162.79 138.06 5.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.93 110.71 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 28' ' ' THR . 6.3 Cg_endo -49.58 143.04 22.57 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.616 2.21 . . . . 0.64 112.243 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.5 mt-30 -77.09 -44.22 2.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 2.29 111.894 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.3 Cg_exo -56.36 -34.59 94.61 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.046 1.831 . . . . 0.71 112.129 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -67.43 -37.8 83.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.6 110.708 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 19' ' ' ALA . 50.1 mm -48.49 -54.65 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.47 111.456 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HB2' ' HG3' ' A' ' 72' ' ' ARG . 13.6 t70 -49.13 -40.03 30.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 1.64 110.85 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.21 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.39 110.82 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.2 ttm -64.7 -54.59 29.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.66 110.64 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 19' ' ' ALA . 2.8 mm? -73.78 -46.97 42.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 1.39 110.437 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ALA . 9.6 tp10 -54.38 -40.11 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 2.33 110.403 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -65.47 -53.68 39.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 3.22 110.672 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.445 ' HE1' ' CE3' ' A' ' 76' ' ' TRP . 53.3 ttp -56.63 -39.52 73.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.574 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 4.6 tm-20 -82.05 -21.49 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 2.34 110.758 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -33.5 20.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.356 -0.384 . . . . 0.47 111.13 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 ptm -73.06 -26.77 61.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 2.71 110.449 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 55.97 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.657 -0.782 . . . . 0.64 112.995 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 72.8 mmtt -71.35 -82.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.726 0.298 . . . . 2.12 110.903 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -153.39 -83.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 1.36 111.2 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 48' ' ' ARG . 12.4 p -146.29 155.72 12.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 1.4 111.352 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.8 ppt_? -149.95 162.15 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 2.33 110.989 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -140.78 116.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 1.42 111.092 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.5 p -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.01 111.383 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -114.36 147.68 38.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 2.48 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 1.11 110.873 179.832 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' HG3' ' HB2' ' A' ' 34' ' ' ASP . 8.4 ptp180 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.69 0.281 . . . . 2.92 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -147.52 130.49 16.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 2.14 110.572 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 13.0 pt-20 -114.12 170.59 8.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.238 0.542 . . . . 2.19 111.873 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 2.4 t-105 -117.53 142.85 46.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.406 -0.815 . . . . 3.32 110.383 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 29.2 t90 -114.75 132.19 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 2.88 110.847 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.442 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -141.96 149.18 39.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.115 -0.493 . . . . 0.39 111.091 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 1.18 110.629 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.519 0.2 . . . . 0.58 111.203 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.499 ' N ' HD12 ' A' ' 4' ' ' LEU . 74.0 mtp -57.05 -36.06 70.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.965 0.412 . . . . 2.52 110.767 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.87 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 2.77 110.408 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.424 ' O ' HD23 ' A' ' 11' ' ' LEU . 49.1 t -56.84 -36.34 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 1.59 110.443 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 76' ' ' TRP . 73.9 ttt180 -49.24 -57.98 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.692 -0.685 . . . . 2.28 110.893 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 2.19 110.641 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.5 mmt -53.97 -47.0 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.87 110.928 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 15' ' ' GLY . 3.1 mm? -80.4 -27.19 38.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 2.1 110.888 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.69 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 1.09 111.15 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.9 mt -103.96 -55.88 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 1.99 110.961 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -62.59 -64.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 2.19 111.116 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.471 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 138.04 -100.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 1.53 112.52 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.1 mpt_? -101.56 122.72 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.655 0.264 . . . . 2.73 110.786 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 56.5 mtm -160.29 175.38 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 2.04 111.206 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 1.0 OUTLIER -119.54 159.99 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 2.7 110.561 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -82.97 -24.37 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.56 111.405 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 73' ' ' GLN . 22.1 pttp -59.92 -34.07 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 1.98 110.904 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -62.36 -57.54 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 2.17 110.786 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.64 -52.1 62.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 1.76 110.804 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -53.92 -27.39 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.3 110.825 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.72 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.79 111.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' C ' HD22 ' A' ' 26' ' ' LEU . 31.9 mmm180 -84.5 -29.86 25.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 3.77 110.886 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -103.71 -6.47 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.79 111.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.3 113.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.941 0.4 . . . . 2.31 111.035 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.461 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.7 m -163.01 139.44 5.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.93 110.844 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 28' ' ' THR . 78.0 Cg_exo -50.76 112.67 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.64 112.26 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 78.2 mt-30 -55.24 -46.99 99.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 2.29 111.549 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 98.0 Cg_exo -42.73 -37.32 5.69 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.341 2.028 . . . . 0.71 112.303 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.3 tm? -80.28 -34.8 36.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 0.6 110.61 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 30' ' ' GLN . 49.1 mm -49.89 -53.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.47 111.4 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 18.3 t70 -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.36 . . . . 1.64 110.986 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' ARG . . . -71.13 -28.46 64.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.332 -0.395 . . . . 0.39 110.74 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.53 -52.17 54.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.66 109.984 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD12 ' HG3' ' A' ' 74' ' ' GLU . 50.4 mt -68.92 -51.75 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.797 -0.638 . . . . 1.39 109.708 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.5 tt0 -48.65 -39.45 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.669 -0.696 . . . . 2.33 110.914 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' ALA . 2.2 tmt_? -66.37 -54.57 22.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.22 110.519 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -53.51 -39.2 64.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 2.24 110.508 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -85.98 -19.25 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 2.34 110.892 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.42 -24.65 3.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.508 -0.315 . . . . 0.47 110.982 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 76.8 mtp -87.67 -25.85 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 2.71 110.766 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.47 59.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.807 -0.711 . . . . 0.64 112.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HG3' HG22 ' A' ' 46' ' ' VAL . 48.5 tptt -75.13 -70.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 2.12 110.915 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -156.44 -90.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.325 . . . . 1.36 111.571 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 46' ' ' VAL . 22.2 t -144.82 153.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.814 0.34 . . . . 1.4 111.025 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 3.3 ppt_? -150.21 162.25 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 2.33 111.457 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.8 mt -141.34 113.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 1.42 110.747 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.5 p -89.57 133.37 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 1.01 111.692 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.7 146.87 46.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.596 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.11 111.206 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.815 0.34 . . . . 2.92 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 18.8 pt20 -145.91 137.0 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 2.14 110.667 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.601 ' HG3' HD12 ' A' ' 37' ' ' LEU . 12.7 pt-20 -113.7 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 2.19 111.322 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 48.7 m0 -108.81 152.93 24.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 3.32 110.813 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 8' ' ' ARG . 7.4 t90 -123.37 114.06 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 2.88 110.882 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.29 152.84 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.39 111.323 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.3 mp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.996 -0.547 . . . . 1.18 110.714 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.6 pp . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.655 0.264 . . . . 0.58 111.2 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.8 tpp -49.94 -44.19 50.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.366 . . . . 2.52 111.011 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' MET . 45.0 mt-10 -60.39 -63.84 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 2.77 110.907 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' HD13 ' A' ' 11' ' ' LEU . 14.6 p -60.86 -26.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 1.59 110.621 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 72.1 ttt180 -59.71 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 2.28 111.067 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.62 -47.2 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 2.19 111.026 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 84.9 mmm -47.25 -49.83 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 1.87 111.319 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 17' ' ' MET . 9.0 mp -83.16 -38.06 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.363 . . . . 2.1 111.179 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -52.54 -23.32 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.367 . . . . 1.09 111.141 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -96.01 -11.46 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.575 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -107.4 -79.39 0.58 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.793 0.33 . . . . 2.19 111.254 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.56 -134.2 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.9 -0.667 . . . . 1.53 112.314 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.5 mpt_? -58.14 119.71 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 2.73 110.907 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 68.0 mtp -159.41 172.53 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 2.04 110.893 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -126.31 148.97 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.397 . . . . 2.7 110.905 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.554 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -83.1 -18.89 37.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.56 111.612 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 21.0 pttp -58.66 -39.24 80.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.756 0.312 . . . . 1.98 110.749 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -61.76 -57.69 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 2.17 110.722 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.62 -28.69 69.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 1.76 110.716 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -71.47 -39.93 70.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 1.3 110.855 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.57 87.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.79 111.143 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.62 -25.17 67.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.381 -0.372 . . . . 3.77 110.94 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.4 -4.5 22.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 1.79 111.616 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 67.93 25.94 7.6 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 2.31 111.024 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.401 HG23 ' HD2' ' A' ' 29' ' ' PRO . 87.3 m -77.06 138.41 65.15 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.93 111.14 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 28' ' ' THR . 52.0 Cg_exo -53.67 114.35 1.73 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.492 2.128 . . . . 0.64 112.388 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.2 mt-30 -57.96 -44.98 99.79 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 2.29 111.676 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 78.3 Cg_exo -50.68 -33.96 41.89 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.143 1.896 . . . . 0.71 112.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.6 110.981 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 50.2 mm -48.46 -32.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.47 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.4 t70 -55.82 -36.45 67.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 1.64 110.514 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.69 -27.56 37.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.818 -0.628 . . . . 0.39 111.032 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.16 -56.46 20.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 1.66 110.761 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.9 mp -74.74 -41.9 59.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 1.39 110.688 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.6 tp10 -59.83 -44.64 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 2.33 110.6 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 71.6 ttt180 -68.42 -57.33 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 3.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 tpt -49.83 -39.42 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.978 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -87.18 -21.46 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 2.34 111.249 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 38' ' ' GLU . . . -50.34 -26.01 4.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.778 0.323 . . . . 0.47 111.105 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 68.2 mtm -88.01 -24.27 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.71 110.817 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.78 58.95 0.54 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.743 -0.741 . . . . 0.64 112.376 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HG3' HG22 ' A' ' 46' ' ' VAL . 25.8 tptp -80.92 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 2.12 110.676 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -153.41 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.173 -0.467 . . . . 1.36 111.42 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 48' ' ' ARG . 61.7 t -148.47 156.77 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 1.4 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -150.45 150.36 31.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 2.33 111.028 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.408 HD13 ' O ' ' A' ' 48' ' ' ARG . 26.6 mm -128.06 98.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.42 110.763 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.422 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 80.7 p -72.55 109.33 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 1.01 111.016 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' HG2' ' CZ2' ' A' ' 75' ' ' TRP . 10.5 tp10 -121.92 158.94 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.625 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 1.11 111.371 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.952 0.406 . . . . 2.92 111.065 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.441 ' CG ' ' HB3' ' A' ' 20' ' ' LYS . 3.4 pp0? -140.61 141.83 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 2.14 110.943 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -101.39 171.59 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 2.19 110.505 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CZ2' ' HG2' ' A' ' 51' ' ' GLU . 19.9 m0 -121.99 122.28 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 3.32 110.392 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.467 ' CZ2' ' CG2' ' A' ' 46' ' ' VAL . 53.4 t-105 -76.63 147.58 37.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 2.88 111.127 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.52 137.4 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.39 111.114 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.6 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.18 110.888 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.584 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.52 0.2 . . . . 0.58 111.372 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.551 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.1 mtt -55.72 -46.35 77.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.868 0.366 . . . . 2.52 110.859 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.17 -64.12 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 2.77 111.152 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.587 ' O ' HD23 ' A' ' 11' ' ' LEU . 22.9 m -57.45 -37.73 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 1.59 110.368 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -49.62 -53.66 22.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.701 . . . . 2.28 110.973 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.98 -46.17 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 2.19 110.676 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -52.33 -48.04 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.87 110.497 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.593 HD12 ' CE3' ' A' ' 76' ' ' TRP . 4.1 mm? -61.44 -47.62 84.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 2.1 110.713 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.2 51.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.09 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 mt -99.89 -22.31 15.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 1.99 111.139 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -106.91 -73.22 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.915 0.388 . . . . 2.19 110.949 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.25 137.98 10.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.637 -0.792 . . . . 1.53 112.992 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 16' ' ' ARG . 8.9 mpt_? 61.8 80.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 2.73 111.291 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.52 ' HB2' HD11 ' A' ' 11' ' ' LEU . 60.7 mtt -161.1 175.01 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 2.04 111.218 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' CD ' ' CE3' ' A' ' 75' ' ' TRP . 24.9 mt-10 -124.31 153.79 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 2.7 110.58 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.69 -20.33 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.56 111.355 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -53.8 -46.82 71.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 1.98 110.892 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -67.1 -57.54 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 2.17 110.959 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.76 111.088 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -63.83 -43.89 94.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 1.3 111.074 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.27 98.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.79 111.342 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.98 -24.66 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.373 . . . . 3.77 111.205 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.26 4.29 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.494 -0.321 . . . . 1.79 111.663 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 66.4 99.15 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.751 0.31 . . . . 2.31 111.097 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.507 HG23 ' HD2' ' A' ' 29' ' ' PRO . 67.7 m -163.35 139.07 5.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.93 111.037 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 28' ' ' THR . 79.6 Cg_exo -45.41 114.02 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.483 2.122 . . . . 0.64 112.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 27.4 tt0 -57.93 -44.1 99.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 2.29 111.499 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 50.6 Cg_exo -54.25 -57.28 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.268 1.978 . . . . 0.71 112.241 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -46.66 -32.02 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.953 0.406 . . . . 0.6 111.043 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.528 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 45.8 mm -51.81 -33.02 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.137 -0.483 . . . . 0.47 111.054 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' HB3' ' HG3' ' A' ' 72' ' ' ARG . 2.0 p30 -51.33 -36.13 41.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.129 0.49 . . . . 1.64 110.362 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -81.04 -28.25 35.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.39 110.782 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.417 ' SD ' ' HB1' ' A' ' 19' ' ' ALA . 49.9 ttm -56.87 -54.07 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 1.66 110.452 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 19' ' ' ALA . 8.2 mp -76.89 -43.35 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 1.39 110.652 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.23 -40.11 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 2.33 110.948 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 41.4 ttm180 -71.41 -57.76 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 3.22 111.147 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.7 ttp -48.72 -40.79 29.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.24 111.164 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.89 -24.1 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 2.34 110.769 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.46 -29.48 10.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.47 111.248 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.38 -27.65 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 2.71 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.02 47.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.655 -0.783 . . . . 0.64 112.574 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 46' ' ' VAL . 25.3 tptp -67.84 -67.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 2.12 110.52 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -155.39 -89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.36 111.257 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -141.08 138.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.773 0.321 . . . . 1.4 111.204 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -141.3 129.61 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 2.33 110.864 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.5 mp -124.49 117.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 1.42 110.967 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 36.0 t -76.57 122.58 24.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 1.01 111.043 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -126.14 140.63 52.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 2.48 110.664 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 1.11 111.237 -179.878 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 14.9 ptp180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.812 0.339 . . . . 2.92 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -134.69 138.71 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.14 110.771 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -94.05 176.38 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 2.19 110.983 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.426 ' CE3' ' CD ' ' A' ' 18' ' ' GLU . 3.8 t-105 -125.89 117.99 24.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 3.32 110.263 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.666 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 67.5 t90 -98.23 140.76 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 2.88 111.147 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.77 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.39 110.997 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.666 HD11 ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mp . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.18 111.114 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.2 pp . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.632 0.253 . . . . 0.58 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.499 ' N ' HD12 ' A' ' 4' ' ' LEU . 24.7 ttt -52.95 -37.17 60.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.824 0.345 . . . . 2.52 110.67 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.83 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 2.77 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.418 ' CG2' HD23 ' A' ' 11' ' ' LEU . 7.6 p -60.03 -28.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 1.59 110.436 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -56.27 -56.59 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 2.28 110.742 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.1 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 2.19 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.0 mtt -51.4 -58.46 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 1.87 110.696 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.418 HD23 ' CG2' ' A' ' 7' ' ' VAL . 3.6 mm? -62.16 -37.33 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 2.1 110.894 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.19 -25.24 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.09 110.856 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -104.45 -27.85 11.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 1.99 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.4 -72.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 2.19 110.992 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.13 -102.49 0.43 Allowed Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.76 -0.733 . . . . 1.53 112.562 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -97.62 108.33 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 2.73 110.831 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.7 mtt -157.25 171.76 19.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 2.04 111.153 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 75' ' ' TRP . 13.2 pt-20 -119.37 148.55 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 2.7 110.932 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.02 -19.48 60.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.56 111.198 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 60.2 tttm -46.93 -62.09 1.56 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 1.98 111.119 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -62.51 -48.13 80.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 2.17 110.675 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.93 -40.03 56.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 1.76 111.107 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 27' ' ' GLN . 46.0 t -68.96 -45.03 71.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.3 110.961 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.51 90.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.79 111.172 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -54.54 -39.64 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 3.77 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.0 mm? -104.03 -5.33 22.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 1.79 111.552 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' SER . 88.4 mt-30 66.0 104.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 2.31 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' HD2' ' A' ' 29' ' ' PRO . 88.9 m -161.77 139.46 6.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.93 110.81 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 28' ' ' THR . 73.1 Cg_exo -39.86 114.96 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.179 . . . . 0.64 112.476 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.6 tp-100 -63.56 -44.62 81.71 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.29 111.778 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -47.05 -35.21 18.47 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.248 1.965 . . . . 0.71 112.425 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -77.29 -41.04 42.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.407 . . . . 0.6 110.606 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.0 mm -47.82 -45.67 11.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.47 111.149 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.7 t70 -53.19 -39.88 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 1.64 110.384 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -26.21 55.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.39 110.654 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 4' ' ' LEU . 47.4 tpp -61.26 -56.33 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 1.66 110.189 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 76' ' ' TRP . 67.1 mt -68.04 -48.4 65.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.645 . . . . 1.39 110.589 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 9.5 tp10 -51.44 -39.71 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 2.33 110.478 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -67.83 -43.16 80.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.97 -0.559 . . . . 3.22 110.432 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 tpt -52.87 -44.92 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 2.24 110.535 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.46 -23.24 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 2.34 110.877 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.01 -27.15 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.47 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.1 mtt -89.25 -24.51 22.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.71 110.732 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.31 67.07 0.71 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.64 112.529 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.76 -86.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.585 0.231 . . . . 2.12 110.903 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG23 ' N ' ' A' ' 47' ' ' VAL . 10.6 m -120.91 -150.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.36 110.371 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.517 ' N ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -104.36 124.51 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.077 0.465 . . . . 1.4 111.152 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH2' ' OE2' ' A' ' 38' ' ' GLU . 6.6 tmm_? -111.96 138.56 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 2.33 110.769 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.1 mm -122.79 112.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 1.42 111.153 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 84.7 p -74.78 114.67 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 1.01 110.881 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -118.82 146.04 45.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.43 . . . . 2.48 111.158 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.11 110.928 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.847 0.356 . . . . 2.92 111.236 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB3' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -145.74 126.71 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 2.14 110.588 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -93.75 -179.67 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.245 0.545 . . . . 2.19 111.124 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.476 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 2.0 t90 -126.29 124.58 40.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.558 -0.746 . . . . 3.32 109.866 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.471 ' HB2' HD22 ' A' ' 37' ' ' LEU . 1.6 t90 -100.48 120.15 39.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 2.88 111.241 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.74 128.72 21.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.39 110.633 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 78' ' ' LEU . 7.3 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 1.18 110.958 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.518 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.3 pp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.452 0.168 . . . . 0.58 111.432 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.493 ' N ' HD12 ' A' ' 4' ' ' LEU . 81.2 mtp -53.62 -39.66 65.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 2.52 110.793 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.4 -63.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.77 110.715 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 11' ' ' LEU . 35.1 m -61.96 -31.67 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.531 . . . . 1.59 110.333 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 3.8 tmt_? -51.27 -52.49 44.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.581 -0.736 . . . . 2.28 110.814 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.06 -45.86 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 2.19 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -55.0 -48.58 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.87 111.068 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mm? -77.16 -33.22 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 2.1 111.136 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -66.53 -19.0 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 1.09 111.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -108.37 20.15 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.505 -0.316 . . . . 1.99 111.315 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -131.87 -65.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.806 0.336 . . . . 2.19 110.916 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.3 -94.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 1.53 112.607 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.2 mpt_? -94.06 91.81 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 2.73 110.943 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 11.8 mmt -154.81 175.32 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 2.04 111.063 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' OE1' ' HB3' ' A' ' 20' ' ' LYS . 15.7 pt-20 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 2.7 110.803 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.553 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -77.04 -16.54 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.56 111.502 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 57.1 tttm -49.75 -47.04 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 1.98 110.991 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -53.33 -58.07 8.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 2.17 110.96 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 23' ' ' SER . 4.3 pp -72.85 -19.11 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 1.76 111.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.502 ' N ' HD12 ' A' ' 22' ' ' LEU . 47.7 t -70.06 -39.23 75.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 1.3 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.56 -39.97 21.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.938 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.23 -24.31 67.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 3.77 110.87 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.8 -11.3 16.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.238 -0.437 . . . . 1.79 111.451 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 61.18 76.49 0.37 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.935 0.398 . . . . 2.31 110.958 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 23' ' ' SER . 13.6 t -132.55 146.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.93 111.021 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -46.03 118.86 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.374 2.049 . . . . 0.64 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 70.6 mt-30 -69.66 -43.53 21.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 2.29 111.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.59 -26.19 8.82 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.381 2.054 . . . . 0.71 112.748 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -87.2 -44.65 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.52 -0.309 . . . . 0.6 110.983 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.553 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -47.38 -49.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.47 111.281 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CB ' ' HG3' ' A' ' 72' ' ' ARG . 32.2 t70 -50.91 -39.81 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.44 -0.346 . . . . 1.64 110.707 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.26 -26.36 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.39 110.634 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.42 ' HG3' ' HB3' ' A' ' 4' ' ' LEU . 46.2 ttm -62.68 -47.91 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 1.66 110.053 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.2 mm? -70.87 -52.97 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 1.39 109.986 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' ALA . 46.1 mt-10 -51.11 -38.64 53.04 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 120.933 0.397 . . . . 2.33 110.25 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -63.03 -49.4 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 3.22 110.615 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 45' ' ' LYS . 13.9 tpt -61.11 -43.11 99.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 2.24 110.887 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -81.19 -17.29 50.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 2.34 111.359 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -26.59 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.47 111.175 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.1 ptm -81.2 -24.6 37.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 2.71 110.64 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.78 46.6 0.71 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.817 -0.706 . . . . 0.64 112.42 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 30.9 mmmt -61.38 -77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.701 0.286 . . . . 2.12 111.165 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 HG23 ' A' ' 47' ' ' VAL . 92.6 t -150.57 -84.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 1.36 111.613 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.693 HG23 HG12 ' A' ' 46' ' ' VAL . 95.3 t -138.75 152.21 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 1.4 111.441 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -147.78 147.84 30.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.873 -0.603 . . . . 2.33 110.356 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.53 113.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 1.42 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 37.6 t -88.32 128.17 35.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.244 0.545 . . . . 1.01 111.551 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -132.08 138.67 48.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.495 -0.775 . . . . 2.48 110.418 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 1.11 111.16 -179.717 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HG3' ' CB ' ' A' ' 34' ' ' ASP . 9.2 ptp180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.936 0.398 . . . . 2.92 111.085 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.48 136.45 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 2.14 110.427 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 22.2 pt-20 -106.47 169.94 8.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.145 0.498 . . . . 2.19 111.988 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -107.53 133.24 52.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 3.32 110.334 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 11' ' ' LEU . 15.4 t90 -109.59 122.54 47.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.434 -0.348 . . . . 2.88 111.154 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.82 140.97 48.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.39 110.926 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.5 mp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.18 111.015 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.575 0.213 . . . . 0.58 111.575 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.532 ' N ' HD12 ' A' ' 4' ' ' LEU . 93.7 mmm -49.37 -46.34 47.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 2.52 111.052 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.45 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 2.77 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.575 HG21 ' SD ' ' A' ' 36' ' ' MET . 85.0 t -56.42 -27.72 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.59 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 5' ' ' MET . 74.2 ttt180 -61.23 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 2.28 110.315 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.73 -41.2 99.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.407 . . . . 2.19 110.135 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.33 -59.54 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 1.87 110.596 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.512 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 3.8 mm? -70.33 -34.36 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 2.1 110.719 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.63 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.09 110.745 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.85 -36.31 18.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 1.99 110.289 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -105.09 107.47 18.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.781 -0.645 . . . . 2.19 110.81 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.27 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 1.53 113.113 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.6 mpt_? -73.73 104.82 4.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.869 0.366 . . . . 2.73 111.574 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.45 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 33.4 mtp -165.21 157.36 15.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.921 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 37.9 mt-10 -108.53 159.19 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 2.7 110.812 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -82.82 -20.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.56 111.42 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.28 -46.56 89.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.786 0.327 . . . . 1.98 110.944 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.15 -55.63 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 2.17 111.183 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD21 HG13 ' A' ' 7' ' ' VAL . 4.3 pp -72.25 -29.05 63.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 1.76 111.212 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' HD12 ' A' ' 22' ' ' LEU . 67.3 m -75.64 -29.05 59.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.916 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.89 35.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.79 111.064 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.88 -12.44 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 3.77 111.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -118.2 9.96 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.504 0.193 . . . . 1.79 111.497 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 52.55 94.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 2.31 110.674 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -148.63 139.98 14.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.93 111.021 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.9 Cg_exo -48.94 116.49 2.21 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.467 2.111 . . . . 0.64 112.304 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 52.6 mt-30 -59.93 -44.98 98.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 2.29 111.522 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 86.4 Cg_exo -45.69 -54.71 4.22 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.268 1.978 . . . . 0.71 112.17 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.8 tm? -53.89 -42.19 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.6 110.717 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 19' ' ' ALA . 37.2 mm -47.66 -48.85 10.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.455 . . . . 0.47 111.302 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.5 t70 -52.56 -42.92 64.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 1.64 110.575 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.98 46.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.39 111.336 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.575 ' SD ' HG21 ' A' ' 7' ' ' VAL . 50.3 ttm -61.42 -52.04 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.007 0.432 . . . . 1.66 110.651 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 74' ' ' GLU . 80.1 mt -74.02 -49.44 24.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.901 -0.591 . . . . 1.39 110.535 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.65 -43.87 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 2.33 110.895 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 78.4 ttt180 -67.77 -48.01 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 3.22 111.051 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -55.36 -47.22 76.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 2.24 110.618 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' ' CB ' ' A' ' 48' ' ' ARG . 5.1 tm-20 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 2.34 110.702 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.53 -24.82 3.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.841 0.353 . . . . 0.47 111.079 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.74 -27.27 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 2.71 110.576 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.55 57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.85 -0.69 . . . . 0.64 112.529 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -68.92 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.631 0.253 . . . . 2.12 110.929 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -153.79 -70.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.557 -0.292 . . . . 1.36 111.247 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.06 129.65 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 1.4 111.094 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 tmm_? -137.47 120.86 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 2.33 110.735 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' TRP . 41.9 mm -116.66 116.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.42 111.174 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 85.8 p -75.46 123.98 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 1.01 110.853 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.57 129.67 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 2.48 111.006 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 1.11 110.998 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 51.3 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.221 0.534 . . . . 2.92 111.667 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.17 110.11 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.43 -0.804 . . . . 2.14 110.0 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.5 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.69 173.64 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.086 0.469 . . . . 2.19 111.43 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.508 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.9 t90 -124.15 124.94 43.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.557 -0.747 . . . . 3.32 109.986 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.512 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 11.3 t90 -102.17 126.3 49.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 2.88 111.048 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.495 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -141.47 141.0 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.39 111.079 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.0 mp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.18 110.84 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.611 0.243 . . . . 0.58 111.212 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.473 ' N ' HD12 ' A' ' 4' ' ' LEU . 91.2 mmm -50.94 -44.67 60.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.004 0.431 . . . . 2.52 110.629 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.65 -57.74 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 2.77 110.429 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 22' ' ' LEU . 47.3 t -58.94 -37.64 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 1.59 110.474 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -48.84 -61.31 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 2.28 111.083 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.38 -46.95 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 2.19 110.387 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -51.51 -60.8 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 1.87 110.69 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 76' ' ' TRP . 68.8 mt -57.82 -38.69 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 2.1 110.758 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.68 -28.46 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 1.09 111.061 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.0 mt -104.54 22.08 15.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 1.99 111.254 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.05 -68.45 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 2.19 110.845 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.84 -134.21 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 1.53 112.528 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.483 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -59.84 102.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 2.73 110.845 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' ARG . 76.3 mtp -159.7 163.31 34.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.227 -0.442 . . . . 2.04 111.203 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 35.3 mt-10 -106.1 156.33 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 2.7 110.562 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -81.93 -20.83 37.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.56 111.023 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 73' ' ' GLN . 64.0 pttt -52.23 -31.08 30.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 1.98 110.769 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -64.17 -58.38 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 2.17 111.094 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 23' ' ' SER . 3.8 pp -65.81 -19.57 65.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 1.76 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.66 ' N ' HD12 ' A' ' 22' ' ' LEU . 41.0 t -73.96 -44.87 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 1.3 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.07 56.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.79 111.087 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -67.51 -31.78 72.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 3.77 111.112 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.8 mm? -120.47 12.64 11.64 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.346 -0.388 . . . . 1.79 111.458 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 61.21 104.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 2.31 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' HD2' ' A' ' 29' ' ' PRO . 85.7 m -156.89 138.11 9.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.93 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.1 Cg_exo -48.97 134.33 28.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.125 . . . . 0.64 112.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 16.1 mm-40 -77.28 -44.67 2.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 2.29 111.456 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.35 -41.08 36.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.186 1.924 . . . . 0.71 112.138 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -62.72 -44.37 96.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.6 110.664 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.8 mm -48.1 -43.04 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.47 111.191 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.6 t70 -50.56 -39.07 48.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.071 0.463 . . . . 1.64 110.887 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.21 -26.81 38.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.39 111.246 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.414 ' HE1' ' HB1' ' A' ' 19' ' ' ALA . 43.9 ttp -63.23 -53.89 45.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.66 110.729 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.3 mp -74.2 -41.54 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 1.39 110.46 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.92 -46.87 88.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 2.33 110.667 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 37.5 ttm180 -65.55 -42.64 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 3.22 110.735 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.494 ' HE2' ' CZ2' ' A' ' 76' ' ' TRP . 24.5 ttt -56.33 -47.67 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.24 110.696 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.4 tm-20 -76.31 -21.58 56.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 2.34 110.726 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.23 -25.39 3.61 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.845 0.355 . . . . 0.47 110.849 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 82.7 mtp -84.42 -27.69 27.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 2.71 110.607 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.45 50.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.89 -0.672 . . . . 0.64 112.602 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 74.2 mmtt -68.17 -76.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.626 0.25 . . . . 2.12 110.831 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -151.39 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 1.36 111.156 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.3 145.89 16.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 1.4 111.499 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 8.0 ppt_? -145.88 158.87 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 2.33 110.676 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.2 mp -131.8 113.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.343 . . . . 1.42 111.429 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 80.7 p -77.75 119.13 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 1.01 110.675 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -119.0 132.6 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 2.48 111.05 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 1.11 110.935 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.819 0.343 . . . . 2.92 111.113 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' CB ' ' HB3' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -136.33 133.65 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.14 110.728 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -92.53 176.46 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.088 0.47 . . . . 2.19 110.827 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.481 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.8 t90 -119.84 129.09 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 3.32 109.787 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 40' ' ' MET . 60.6 t-105 -102.42 140.12 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 2.88 111.037 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB1' ' HG3' ' A' ' 16' ' ' ARG . . . -157.99 134.82 9.85 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.115 -0.493 . . . . 0.39 111.191 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.2 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 1.18 110.888 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.665 0.269 . . . . 0.58 111.352 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.479 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.0 ptt? -56.32 -28.51 59.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 2.52 110.816 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.22 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 2.77 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 36' ' ' MET . 35.5 m -60.71 -33.56 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 1.59 110.548 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 35.9 ttm180 -50.9 -58.31 6.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.634 . . . . 2.28 110.837 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.19 -44.48 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 2.19 111.029 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 mmt -49.14 -47.34 45.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 1.87 111.128 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 17.1 mt -75.51 -33.2 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 2.1 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -36.58 62.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 1.09 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.72 -55.42 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 1.99 111.014 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.2 -66.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 2.19 110.959 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.32 166.01 20.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 1.53 112.599 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.6 mpt_? 56.88 69.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 2.73 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 16' ' ' ARG . 60.3 mtt -160.19 175.15 13.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 2.04 111.124 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.478 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 30.7 mt-10 -115.04 158.2 22.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 2.7 110.649 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -83.27 -17.62 41.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.56 111.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 73' ' ' GLN . 21.1 pttp -58.1 -43.32 87.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 1.98 110.73 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -51.53 -58.39 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 2.17 110.545 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 23' ' ' SER . 4.1 pp -65.29 -19.64 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.76 110.685 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.533 ' N ' HD12 ' A' ' 22' ' ' LEU . 48.3 t -76.45 -30.4 57.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.367 -0.378 . . . . 1.3 110.699 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -38.08 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.79 110.937 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.28 -36.5 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 3.77 110.578 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.5 mm? -105.2 -17.2 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 1.79 111.363 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' SER . 86.3 mt-30 66.11 89.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 2.31 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.406 HG22 ' OG ' ' A' ' 23' ' ' SER . 14.6 t -134.21 146.21 58.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.93 110.8 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 86.0 Cg_exo -40.31 106.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.583 2.189 . . . . 0.64 112.453 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 51.8 mt-30 -53.64 -44.34 97.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 2.29 111.731 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -45.7 -29.29 5.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.163 1.909 . . . . 0.71 112.062 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -78.91 -39.57 34.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.51 . . . . 0.6 110.479 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -50.46 -53.92 10.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.157 -0.474 . . . . 0.47 110.721 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.3 t70 -53.22 -30.96 40.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.948 -0.569 . . . . 1.64 110.11 179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -25.1 37.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.494 -0.776 . . . . 0.39 110.755 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 32' ' ' LEU . 63.2 mtt -64.98 -50.62 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.66 110.497 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 19' ' ' ALA . 5.4 mp -77.33 -44.49 29.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.973 -0.558 . . . . 1.39 110.84 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 42.1 tt0 -55.51 -42.06 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 2.33 110.682 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mmp_? -70.29 -48.59 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 3.22 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.439 ' SD ' ' CE2' ' A' ' 76' ' ' TRP . 37.9 ttm -49.63 -45.45 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.543 . . . . 2.24 110.937 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 4.6 tm-20 -86.35 -19.78 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 2.34 111.027 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.439 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . -50.4 -25.22 3.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.47 111.048 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 ptm -93.3 -26.18 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 2.71 110.671 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.78 60.25 0.37 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.902 -0.666 . . . . 0.64 112.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -76.53 -75.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.524 0.202 . . . . 2.12 110.772 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 78' ' ' LEU . 97.8 t -152.3 -90.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.834 -0.166 . . . . 1.36 111.332 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 77' ' ' ALA . 11.3 p -140.66 136.57 35.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.774 0.321 . . . . 1.4 111.205 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 7.0 ppt_? -135.45 161.97 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.33 111.122 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' TRP . 45.2 mt -143.54 107.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 1.42 111.155 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 79.6 p -76.64 124.41 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 1.01 110.959 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.07 143.01 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 2.48 110.986 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' THR . 4.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 1.11 111.028 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 85.2 mtm180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 2.92 111.14 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 20' ' ' LYS . 10.8 pt20 -147.62 116.09 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 2.14 110.669 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -96.85 179.0 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 2.19 111.049 -179.627 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.478 ' CE3' ' HG3' ' A' ' 18' ' ' GLU . 1.8 t90 -126.51 118.38 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 3.32 110.041 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.685 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 55.5 t90 -99.12 131.0 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 2.88 110.799 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -145.41 146.91 31.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.592 . . . . 0.39 110.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.685 HD11 ' CZ3' ' A' ' 76' ' ' TRP . 2.8 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 1.18 110.722 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mmm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.664 0.269 . . . . 3.77 110.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.25 110.19 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 1.46 111.169 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -93.4 170.7 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 1.58 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.3 pp -65.8 -15.85 63.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.58 111.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.489 ' N ' HD12 ' A' ' 4' ' ' LEU . 59.0 mtm -56.88 -27.49 60.61 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.869 0.366 . . . . 2.52 110.76 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 10' ' ' MET . 12.3 mm-40 -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 2.77 110.751 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.446 HG23 ' CE ' ' A' ' 36' ' ' MET . 64.3 t -58.82 -29.97 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.089 0.471 . . . . 1.59 110.421 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -56.42 -54.67 42.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 2.28 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -48.21 76.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 2.19 110.817 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 25.6 mmt -50.69 -48.41 58.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 1.87 110.743 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 7' ' ' VAL . 3.4 mm? -74.69 -25.06 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 2.1 110.903 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.34 65.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.09 111.093 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.1 mt -105.1 -28.34 11.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 1.99 111.133 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.49 -68.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 2.19 111.066 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.72 -116.45 3.11 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.598 -0.81 . . . . 1.53 112.543 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -72.54 101.41 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 2.73 110.905 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 mmt -152.53 169.87 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 2.04 111.073 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 10.5 pt-20 -113.97 144.67 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 2.7 110.783 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -79.81 -29.7 40.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.56 111.274 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB2' ' OE1' ' A' ' 73' ' ' GLN . 22.2 ptmt -55.49 -32.45 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 1.98 110.629 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.01 -49.47 77.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.982 -0.554 . . . . 2.17 110.774 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -64.68 -53.02 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 1.76 110.766 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB3' HD11 ' A' ' 33' ' ' ILE . 85.3 p -53.42 -41.24 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.3 110.979 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.92 87.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.975 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -58.99 -18.07 30.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 3.77 111.265 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.94 8.44 14.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.721 -0.218 . . . . 1.79 111.471 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 60.47 20.55 10.25 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.677 0.275 . . . . 2.31 111.171 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.452 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.4 m -73.91 137.89 76.36 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.446 -0.343 . . . . 0.93 110.996 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 28' ' ' THR . 82.7 Cg_exo -45.29 129.11 10.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.396 2.064 . . . . 0.64 112.188 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 96.5 mt-30 -77.73 -44.6 2.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 2.29 111.467 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 74.3 Cg_exo -50.32 -30.9 27.92 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.136 1.89 . . . . 0.71 112.196 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -72.29 -43.8 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.6 110.627 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 23' ' ' SER . 50.6 mm -48.75 -42.18 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.47 111.113 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' OD2' ' NE ' ' A' ' 72' ' ' ARG . 27.3 t70 -49.74 -41.64 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 1.64 110.504 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.13 -26.53 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.39 110.611 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.446 ' CE ' HG23 ' A' ' 7' ' ' VAL . 25.1 ttt -58.5 -56.5 21.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.885 -0.598 . . . . 1.66 110.243 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -73.28 -45.84 53.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.934 -0.575 . . . . 1.39 110.34 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.49 -45.79 66.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.955 0.407 . . . . 2.33 110.186 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -67.82 -36.99 81.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.592 . . . . 3.22 110.483 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.454 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 42.8 ttm -63.69 -49.76 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.634 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 30.3 tt0 -76.98 -17.54 58.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 2.34 111.091 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.93 -25.82 3.6 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.618 -0.265 . . . . 0.47 111.428 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.0 ptp -86.11 -26.93 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 2.71 110.594 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.34 60.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.64 112.711 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 31.8 mmtm -78.29 -80.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.61 0.243 . . . . 2.12 111.063 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.619 HG12 HG23 ' A' ' 47' ' ' VAL . 51.3 t -153.83 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.743 0.275 . . . . 1.36 111.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG23 HG12 ' A' ' 46' ' ' VAL . 94.2 t -146.96 152.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.039 0.447 . . . . 1.4 111.425 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -147.36 136.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 2.33 110.614 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.27 108.12 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 1.42 111.247 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.8 p -91.19 134.34 34.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 1.01 111.13 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -137.42 145.61 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.538 . . . . 2.48 110.824 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -124.32 151.12 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 1.11 111.271 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.8 p -137.41 125.72 23.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 2.28 110.825 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -149.36 -177.96 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 5.43 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.4 47.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 4.91 112.606 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 50.9 t -133.02 -67.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 6.69 110.841 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.2 mp -73.65 121.86 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 6.81 110.957 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -83.82 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 7.97 110.771 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.24 -55.86 16.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.864 -0.684 . . . . 7.5 112.293 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -95.83 100.93 12.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 6.87 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -142.02 -50.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 6.43 110.923 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -100.96 -52.6 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 6.9 110.882 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.9 t -78.02 141.08 39.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 5.99 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -109.38 95.1 17.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 5.95 110.838 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.92 -35.88 6.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.575 2.184 . . . . 7.21 112.433 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.46 -48.83 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 7.06 111.052 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.02 -44.38 1.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 5.83 112.451 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.32 145.17 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 7.13 110.79 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.79 141.99 24.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 4.83 111.073 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.98 121.08 26.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 2.22 111.15 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 62.1 m 64.48 101.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 2.18 110.945 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' OD2' ' A' ' 34' ' ' ASP . 29.5 ptt180 -143.86 161.97 37.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 2.92 111.094 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' HB2' ' A' ' 20' ' ' LYS . 16.9 pt20 -150.41 139.07 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 2.14 110.694 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.4 pt-20 -116.3 172.53 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.002 0.429 . . . . 2.19 111.432 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 6.1 m0 -116.83 156.51 27.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.86 -0.609 . . . . 3.32 110.4 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 40' ' ' MET . 60.0 t-105 -108.5 134.93 50.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.499 -0.318 . . . . 2.88 110.75 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -147.81 145.45 28.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.981 0.419 . . . . 0.39 111.643 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.6 mp -109.58 -174.3 2.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.18 110.737 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' N ' HG11 ' A' ' 46' ' ' VAL . 19.6 tpp180 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.328 -0.844 . . . . 4.96 110.935 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.899 0.381 . . . . 3.77 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.03 101.17 4.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.46 111.047 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -93.1 -179.34 5.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 1.58 110.924 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp -77.4 -18.34 57.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.58 111.247 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.472 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtm -52.54 -36.65 56.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 2.52 110.734 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.85 -63.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 2.77 110.677 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 4' ' ' LEU . 11.0 p -55.11 -32.89 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.209 0.528 . . . . 1.59 110.235 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.34 -49.15 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.532 -0.758 . . . . 2.28 110.857 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.24 -45.75 86.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.5 . . . . 2.19 110.793 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.2 mmt -51.6 -61.07 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 1.87 110.744 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 76' ' ' TRP . 3.5 mm? -62.14 -47.53 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 2.1 110.772 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -24.48 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 1.09 111.199 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.7 mt -106.29 -26.24 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 1.99 111.043 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.63 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 2.19 111.226 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.48 -112.1 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.833 -0.698 . . . . 1.53 112.548 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 4.5 mpt_? -110.36 121.71 45.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.589 0.233 . . . . 2.73 110.64 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 80.9 mtp -159.89 175.35 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 2.04 111.175 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 75' ' ' TRP . 1.1 pm0 -107.73 147.15 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 2.7 110.801 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 37' ' ' LEU . . . -83.55 -22.24 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.56 111.618 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 61.0 pttt -49.96 -40.13 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 1.98 110.914 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 53.4 mt-30 -66.9 -51.22 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 2.17 110.609 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.8 -44.77 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 1.76 110.646 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 79.4 p -60.01 -38.28 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 1.3 110.712 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.79 111.052 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -54.55 -30.98 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 3.77 110.739 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.28 12.71 11.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 1.79 111.315 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 57.04 109.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.824 0.345 . . . . 2.31 110.952 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 29' ' ' PRO . 86.3 m -157.38 138.04 9.22 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.93 110.898 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 28' ' ' THR . 75.5 Cg_exo -48.39 108.48 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.516 2.144 . . . . 0.64 112.42 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 56.1 mt-30 -53.75 -45.11 98.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.29 111.423 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -45.02 -40.64 15.52 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.186 1.924 . . . . 0.71 112.159 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.6 tm? -72.91 -39.92 65.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.928 -0.578 . . . . 0.6 110.68 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 23' ' ' SER . 39.4 mm -48.12 -56.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.47 111.268 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 15.4 t70 -52.56 -47.43 66.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.64 110.674 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.12 -26.57 64.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.39 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.422 ' CG ' ' HB3' ' A' ' 4' ' ' LEU . 52.3 ttp -64.05 -54.78 28.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.052 -0.522 . . . . 1.66 110.068 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 ' HG3' ' A' ' 74' ' ' GLU . 50.8 mt -65.73 -51.9 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.564 -0.744 . . . . 1.39 110.23 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' ALA . 36.9 tt0 -49.7 -43.67 47.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 2.33 110.872 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -63.49 -44.77 93.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 3.22 110.667 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ttt -58.06 -42.22 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 2.24 110.741 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.2 tm-20 -84.65 -23.04 29.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 2.34 110.688 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.64 -25.13 3.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.826 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.22 -24.32 30.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 2.71 110.612 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 116.19 60.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.896 -0.668 . . . . 0.64 112.378 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HG3' HG22 ' A' ' 46' ' ' VAL . 24.6 tptp -85.64 -71.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 2.12 110.813 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -156.04 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.514 -0.312 . . . . 1.36 111.405 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 48' ' ' ARG . 7.1 p -150.02 154.49 8.99 Favored 'Isoleucine or valine' 0 C--O 1.23 0.05 0 CA-C-O 120.861 0.362 . . . . 1.4 111.071 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.9 ppt_? -149.38 162.56 39.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 2.33 111.433 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -133.98 112.25 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 1.42 110.564 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.6 p -86.6 127.68 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.059 0.457 . . . . 1.01 111.704 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.17 153.68 49.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.685 . . . . 2.48 110.607 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -107.26 166.85 10.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.418 -0.355 . . . . 1.11 111.273 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.2 p -66.77 129.35 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 2.28 111.058 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -151.43 114.1 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 5.43 110.831 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 132.81 -31.65 2.9 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.66 -0.781 . . . . 4.91 112.58 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.97 -61.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 6.69 111.084 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 57' ' ' LEU . 5.9 mp -80.08 141.55 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 6.81 110.909 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -99.96 -28.23 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 7.97 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.73 -84.02 0.12 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 7.5 112.446 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 t -87.09 125.13 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 6.87 110.762 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.4 m -127.05 -72.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 6.43 110.889 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -99.83 -46.5 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 6.9 110.763 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.2 p -155.24 123.22 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 5.99 110.881 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 50.4 t -135.69 137.74 26.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 5.95 110.857 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 64' ' ' CYS . 52.7 Cg_exo -54.73 -57.36 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 7.21 112.445 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.42 -40.93 76.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 7.06 111.07 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.35 86.42 0.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 5.83 112.417 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.69 110.7 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 7.13 110.863 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 54.16 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 4.83 111.176 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.36 125.21 5.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 2.22 111.258 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 82.5 m -148.91 123.63 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 2.18 110.689 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 28.9 ptt180 -138.05 141.79 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 2.92 111.199 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.03 141.37 25.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 2.14 110.502 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HG3' HD12 ' A' ' 37' ' ' LEU . 11.7 pt-20 -116.4 172.24 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 2.19 111.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 17' ' ' MET . 2.4 t-105 -103.38 139.8 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.924 -0.58 . . . . 3.32 110.733 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 48.0 t90 -112.43 121.67 45.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 2.88 110.571 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 16' ' ' ARG . . . -152.24 164.81 36.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 0.39 111.511 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.1 mp -98.86 175.12 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 1.18 110.952 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.123 -0.941 . . . . 4.96 110.903 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.834 0.349 . . . . 3.77 110.83 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.42 136.47 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 1.46 111.206 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -139.15 153.8 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 1.58 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp -63.57 -23.64 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.58 111.033 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.429 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.3 mmt -56.33 -39.18 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 2.52 111.01 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.94 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 2.77 111.029 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 34.1 m -62.52 -28.33 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.59 110.745 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 5' ' ' MET . 75.5 ttt180 -54.17 -60.28 3.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 2.28 110.851 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.41 -48.67 64.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 2.19 111.209 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 89.6 mmm -45.45 -49.73 13.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 1.87 111.475 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 22' ' ' LEU . 8.5 mp -81.83 -33.06 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.37 . . . . 2.1 111.076 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -53.54 -27.42 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 1.09 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.63 -23.95 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.571 . . . . 1.99 111.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -117.22 -71.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 2.19 111.04 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' HA2' HD13 ' A' ' 78' ' ' LEU . . . 107.07 153.13 19.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 1.53 112.293 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 55.93 86.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 2.73 110.817 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.0 mtp -158.27 175.05 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 2.04 110.662 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 0.8 OUTLIER -120.71 132.87 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 2.7 110.792 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -17.72 63.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.56 111.623 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' CG ' ' A' ' 18' ' ' GLU . 14.9 ptmm? -51.51 -43.21 62.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 1.98 110.849 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.04 -52.91 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 2.17 110.857 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 11' ' ' LEU . 79.1 mt -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.969 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -66.06 -31.97 73.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.3 110.624 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -32.9 26.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.79 110.955 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.3 -26.22 62.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 3.77 110.703 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -122.46 12.73 10.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.79 111.285 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 58.75 111.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.878 0.37 . . . . 2.31 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.468 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.3 m -159.19 139.31 8.79 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.93 111.031 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' HG23 ' A' ' 28' ' ' THR . 78.0 Cg_exo -48.81 135.51 28.42 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.571 2.181 . . . . 0.64 112.158 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 67.7 mt-30 -72.5 -43.75 9.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 2.29 111.822 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.5 Cg_exo -58.4 -17.22 32.65 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.117 1.878 . . . . 0.71 112.405 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -87.49 -49.56 7.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.6 111.117 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.96 -47.45 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.47 111.528 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 2.4 p30 -50.0 -36.72 29.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.359 . . . . 1.64 110.841 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.81 -26.72 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.39 110.563 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.75 -57.39 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 1.66 110.102 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -70.18 -47.42 61.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.763 -0.653 . . . . 1.39 109.991 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.1 -42.89 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.067 0.46 . . . . 2.33 109.953 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -60.22 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 3.22 110.081 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.401 ' HE2' HD13 ' A' ' 4' ' ' LEU . 44.4 ttm -61.13 -28.11 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 2.24 110.105 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' A' ' 45' ' ' LYS . 41.9 mm-40 -86.97 -21.73 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.857 -0.61 . . . . 2.34 110.618 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.76 -24.77 3.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.311 -0.404 . . . . 0.47 110.804 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.5 ptm -93.58 -24.61 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 2.71 110.6 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.18 59.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.64 112.452 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 46' ' ' VAL . 49.8 tptt -75.45 -61.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 2.12 110.802 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.41 -93.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 1.36 111.565 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.15 149.92 13.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 1.4 111.118 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -133.88 160.54 37.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 2.33 111.118 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.58 97.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 1.42 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 89.8 p -81.88 117.91 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.01 111.22 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -129.32 153.54 47.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 2.48 111.006 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -126.84 149.07 49.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.11 111.082 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -89.38 118.11 28.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 2.28 110.996 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -102.34 -40.24 6.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 5.43 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.87 -93.64 0.19 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 4.91 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -57.76 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.349 . . . . 6.69 110.668 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp 59.46 109.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.031 -0.532 . . . . 6.81 111.122 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -96.81 22.39 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 7.97 111.022 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 22.78 49.87 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.714 -0.755 . . . . 7.5 112.589 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' LYS . 51.7 m -62.73 -35.6 80.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 6.87 110.88 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.5 t 63.68 -76.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 6.43 110.98 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' SER . 65.1 tttp -88.77 129.42 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 6.9 111.025 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -123.51 170.59 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 5.99 110.83 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.23 158.4 86.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 5.95 110.94 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 66' ' ' GLU . 31.2 Cg_exo -59.37 -25.45 78.5 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.634 2.223 . . . . 7.21 112.115 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 65' ' ' PRO . 10.1 tp10 68.31 -62.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 7.06 110.907 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.05 -32.18 3.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.674 -0.774 . . . . 5.83 112.518 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -101.96 140.95 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 7.13 110.977 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.45 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 4.83 111.173 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.3 160.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 2.22 111.209 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.6 p -51.55 110.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 2.18 110.72 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -139.97 142.73 36.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 2.92 111.239 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -142.43 130.33 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 2.14 110.433 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HG3' HD22 ' A' ' 37' ' ' LEU . 12.7 pt-20 -103.36 172.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 2.19 111.621 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.448 ' CG ' ' HB3' ' A' ' 18' ' ' GLU . 5.1 m0 -114.75 145.92 41.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 3.32 110.446 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.62 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 17.2 t90 -101.02 129.47 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.466 -0.334 . . . . 2.88 110.798 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.04 146.2 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.39 111.267 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.6 mp -105.07 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.0 -0.546 . . . . 1.18 110.834 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 4.96 110.802 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.791 0.329 . . . . 3.77 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.96 122.97 2.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 1.46 111.084 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -99.01 176.31 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.58 110.892 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 5' ' ' MET . 4.1 pp -71.01 -15.62 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 0.58 111.429 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.519 ' N ' HD12 ' A' ' 4' ' ' LEU . 70.0 mtm -56.92 -43.6 81.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 2.52 111.143 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.05 -63.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 2.77 111.201 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 HD22 ' A' ' 11' ' ' LEU . 55.2 t -58.58 -26.61 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.59 110.851 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 72.5 ttt180 -60.83 -58.67 7.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 2.28 110.804 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.56 -51.76 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 2.19 111.516 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -45.2 -48.42 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.394 . . . . 1.87 111.62 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD22 HG12 ' A' ' 7' ' ' VAL . 8.3 mp -81.68 -35.51 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 2.1 111.292 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -55.75 -23.37 29.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.438 -0.346 . . . . 1.09 111.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.21 -23.32 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 1.99 111.099 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -112.5 -66.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 2.19 111.06 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.89 -115.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 1.53 112.522 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.6 mpt_? -53.06 108.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 2.73 110.859 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.405 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 81.1 mtp -159.12 175.08 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.04 110.915 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.3 pt-20 -138.81 144.74 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 2.7 111.056 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -79.85 -18.84 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.56 111.512 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -47.14 -42.11 18.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 1.98 111.464 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.76 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.335 -0.393 . . . . 2.17 111.089 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 23' ' ' SER . 4.2 pp -67.55 -19.4 65.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 1.76 111.488 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.539 ' N ' HD12 ' A' ' 22' ' ' LEU . 97.8 p -71.26 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.66 0.267 . . . . 1.3 110.783 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -23.55 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 0.79 111.153 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' C ' HD22 ' A' ' 26' ' ' LEU . 20.7 tpt180 -56.94 -29.22 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 3.77 111.128 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.1 mm? -119.44 12.6 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.381 . . . . 1.79 111.437 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 63.42 17.67 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.564 0.221 . . . . 2.31 111.195 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 29' ' ' PRO . 63.6 m -65.3 138.84 97.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.705 -0.225 . . . . 0.93 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 28' ' ' THR . 88.7 Cg_exo -46.15 121.24 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.465 2.11 . . . . 0.64 112.361 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 89.7 mt-30 -71.75 -44.03 11.72 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.051 -0.522 . . . . 2.29 111.643 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 58.8 Cg_exo -50.72 -26.06 16.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.176 1.917 . . . . 0.71 112.176 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.8 tm? -83.4 -40.94 18.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.6 110.514 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -47.77 -49.18 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.47 111.244 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 14.6 t70 -56.86 -42.93 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.64 110.82 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 39' ' ' ARG . . . -74.62 -27.43 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.652 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.8 ttp -66.08 -53.1 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 1.66 110.02 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.668 HD12 ' HG3' ' A' ' 74' ' ' GLU . 45.7 mt -62.24 -55.6 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 1.39 110.097 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.9 tt0 -53.83 -38.71 64.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 2.33 110.303 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 18.7 tpp180 -55.03 -52.74 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 3.22 110.589 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' A' ' 45' ' ' LYS . 15.1 tpt -57.28 -45.42 84.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.279 -0.418 . . . . 2.24 110.556 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.0 tm-20 -72.21 -22.45 61.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 2.34 110.775 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.45 -24.84 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.842 0.354 . . . . 0.47 110.863 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.3 mtm -85.53 -26.89 25.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 2.71 110.5 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.67 63.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.817 -0.706 . . . . 0.64 112.885 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HG3' ' HG3' ' A' ' 40' ' ' MET . 28.8 mmmt -88.0 -84.91 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.586 0.232 . . . . 2.12 111.019 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.444 HG12 HG22 ' A' ' 47' ' ' VAL . 85.3 t -143.18 -90.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 1.36 111.278 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 77' ' ' ALA . 19.9 m -154.09 164.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 121.035 0.445 . . . . 1.4 111.548 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 48' ' ' ARG . 7.2 ppt_? -150.5 161.98 41.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 2.33 110.576 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.7 105.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 1.42 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.4 p -89.06 123.3 33.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 1.01 111.433 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.66 155.2 50.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.045 -0.525 . . . . 2.48 110.91 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.7 t -93.27 127.87 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 1.11 111.06 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.2 p -89.07 102.67 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 2.28 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.38 115.64 28.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 5.43 110.959 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 43.27 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 4.91 112.528 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.4 t -162.72 -64.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 6.69 110.916 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 57' ' ' LEU . 5.2 mp -77.32 117.27 18.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.248 -0.433 . . . . 6.81 110.87 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.3 m -85.7 -25.76 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 7.97 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.91 -32.65 44.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 7.5 112.44 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t 57.73 174.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 6.87 110.943 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -152.31 176.15 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 6.43 110.821 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -103.83 -62.12 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 6.9 110.963 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p -78.19 136.93 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 5.99 110.925 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 76.4 m -122.63 143.72 40.65 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 5.95 110.979 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.34 -43.82 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.566 2.177 . . . . 7.21 112.362 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' HB3' ' HG3' ' A' ' 68' ' ' LYS . 10.4 mm-40 -93.95 -52.68 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 7.06 111.021 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.02 20.67 64.64 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.709 -0.758 . . . . 5.83 112.132 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 51.8 mtmt -53.7 125.26 17.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 7.13 110.8 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.54 96.5 0.38 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 4.83 111.195 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.82 -177.65 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 2.22 110.972 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -53.16 115.46 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 2.18 110.575 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 6.0 ptp180 -121.25 144.98 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 2.92 111.099 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -143.38 137.29 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.834 -0.621 . . . . 2.14 110.261 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.668 ' HG3' HD12 ' A' ' 37' ' ' LEU . 12.9 pt-20 -114.91 -176.94 3.01 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.657 -0.417 . . . . 2.19 111.695 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 33.0 m0 -117.31 152.85 34.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.838 -0.619 . . . . 3.32 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.673 ' CD1' HD11 ' A' ' 78' ' ' LEU . 72.3 t-105 -111.64 118.91 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 2.88 110.81 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -128.19 133.63 48.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.39 111.216 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 76' ' ' TRP . 4.5 mp -105.31 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 1.18 110.937 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.35 -0.833 . . . . 4.96 111.047 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.862 0.363 . . . . 3.77 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.65 131.53 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 1.46 110.858 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -135.32 169.43 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 1.58 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp -63.15 -15.79 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.58 111.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.485 ' N ' HD12 ' A' ' 4' ' ' LEU . 19.0 ptm -48.41 -36.13 14.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.917 0.389 . . . . 2.52 111.076 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.68 -63.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 2.77 110.792 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 4' ' ' LEU . 7.8 p -56.52 -29.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.418 . . . . 1.59 110.593 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -57.99 -56.06 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.88 -0.6 . . . . 2.28 110.68 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.73 -45.88 92.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 2.19 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.6 mmt -50.42 -60.05 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.87 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' CE3' ' A' ' 76' ' ' TRP . 4.3 mm? -63.57 -47.77 80.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 2.1 111.127 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.7 -24.85 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 1.09 111.321 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 mt -111.96 16.53 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 1.99 111.569 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -138.1 -80.01 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.692 0.282 . . . . 2.19 111.074 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' HA3' ' NH1' ' A' ' 16' ' ' ARG . . . 142.45 -82.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.677 -0.773 . . . . 1.53 112.751 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -100.5 106.67 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.676 0.274 . . . . 2.73 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 71.9 mtp -161.5 173.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 2.04 111.018 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 17.0 pt-20 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 2.7 110.598 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -80.94 -12.83 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.56 111.593 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -47.77 -62.43 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.347 . . . . 1.98 111.315 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -56.46 -58.13 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 2.17 110.852 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.8 mt -52.19 -35.36 48.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 1.76 110.706 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' HB2' HD11 ' A' ' 33' ' ' ILE . 42.7 t -62.24 -50.84 70.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 1.3 110.969 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.79 110.817 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.67 -22.55 64.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 3.77 111.158 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.63 -7.52 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 1.79 111.613 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 65.7 19.5 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.594 0.235 . . . . 2.31 111.205 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' HD2' ' A' ' 29' ' ' PRO . 43.0 m -80.4 138.89 51.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.509 -0.314 . . . . 0.93 110.924 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 28' ' ' THR . 87.3 Cg_exo -46.44 130.85 14.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.451 2.101 . . . . 0.64 112.392 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.2 mp0 -68.49 -46.33 36.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 2.29 111.359 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.4 Cg_exo -45.09 -31.59 5.9 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.22 1.946 . . . . 0.71 112.339 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.9 tm? -72.94 -33.05 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.6 110.475 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 19' ' ' ALA . 48.0 mm -51.32 -53.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.47 110.867 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB2' ' HG3' ' A' ' 72' ' ' ARG . 12.9 t70 -48.8 -38.11 21.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.029 0.442 . . . . 1.64 110.435 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -81.47 -26.0 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.687 -0.688 . . . . 0.39 110.746 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.9 ttm -61.59 -52.05 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 1.66 110.529 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.6 mm? -77.63 -50.65 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.39 109.932 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.24 -44.03 43.28 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.946 -0.57 . . . . 2.33 110.563 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 28.1 ttm180 -66.52 -54.34 24.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 3.22 110.268 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.452 ' HG2' ' HG3' ' A' ' 45' ' ' LYS . 25.6 ttt -54.25 -37.95 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 2.24 110.373 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.8 tm-20 -84.64 -18.11 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 2.34 110.845 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.22 3.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.425 -0.352 . . . . 0.47 111.101 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.3 ptp -84.28 -27.22 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.71 110.41 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 112.38 54.33 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.826 -0.702 . . . . 0.64 112.659 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 32.5 mmmt -69.48 -72.49 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.694 0.283 . . . . 2.12 110.995 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.05 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 1.36 111.463 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.76 159.64 9.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 1.4 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 4.3 ppt_? -150.17 162.47 40.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 2.33 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.77 105.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 1.42 111.098 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.46 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.2 p -82.6 120.25 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 1.01 111.141 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -126.19 151.26 47.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.83 -0.623 . . . . 2.48 110.943 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -122.38 163.14 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 1.11 111.068 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 82.1 p -124.22 120.47 32.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 2.28 111.042 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.48 -62.82 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 5.43 110.419 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.69 -33.94 2.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.79 -0.719 . . . . 4.91 112.581 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.3 m -128.66 172.87 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 6.69 110.779 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.7 tp -117.57 19.46 13.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 6.81 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.8 m -87.08 -29.4 21.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 7.97 111.032 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.27 -25.87 73.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 7.5 112.527 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m 66.28 -69.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 6.87 111.044 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 84.4 m 64.95 170.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 6.43 110.818 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -176.12 172.06 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 6.9 111.287 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.42 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 47.9 t -69.2 109.54 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 5.99 111.054 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.93 145.54 46.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 5.95 110.808 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.81 -31.47 10.27 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.488 2.125 . . . . 7.21 112.276 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.94 -66.31 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 7.06 111.017 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.52 47.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.803 -0.713 . . . . 5.83 112.437 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -133.42 127.09 32.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 7.13 110.76 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.34 174.77 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 4.83 111.178 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.47 -165.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 2.22 111.021 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -50.47 106.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.424 -0.353 . . . . 2.18 110.921 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 34' ' ' ASP . 22.1 ptt180 -123.2 143.31 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 2.92 110.755 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -142.12 140.97 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.385 . . . . 2.14 110.945 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -118.62 153.15 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 2.19 111.271 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 9.5 t-105 -91.27 153.79 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.798 -0.637 . . . . 3.32 110.629 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.529 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 59.4 t90 -129.46 124.53 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 2.88 110.992 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.53 169.45 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.39 111.337 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.2 mp -104.42 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 1.18 110.792 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.265 -0.874 . . . . 4.96 110.852 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 ttp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.929 0.395 . . . . 3.77 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.13 126.83 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 1.46 111.248 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -117.36 154.65 30.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 1.58 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp -64.66 -13.73 55.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.58 111.342 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.54 ' N ' HD12 ' A' ' 4' ' ' LEU . 1.6 mpt? -64.9 -34.31 78.09 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 2.52 110.686 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 2.77 110.508 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.6 -30.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.59 110.254 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -56.81 -44.93 82.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 2.28 110.533 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 2.19 110.461 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mmt -50.83 -53.97 27.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 1.87 110.523 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HG ' ' CG ' ' A' ' 76' ' ' TRP . 3.8 mm? -70.74 -29.27 65.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 2.1 110.995 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -33.77 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.09 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -93.53 -45.88 7.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.99 111.205 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -94.03 -76.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 2.19 111.014 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.82 155.01 23.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 1.53 112.442 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.0 OUTLIER 56.31 89.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.631 0.253 . . . . 2.73 111.12 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.451 ' O ' ' CD1' ' A' ' 75' ' ' TRP . 62.0 mtm -161.95 175.78 11.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 2.04 110.942 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -115.66 152.71 32.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.579 . . . . 2.7 110.581 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -81.9 -14.01 56.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.56 111.453 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HA ' ' HG ' ' A' ' 23' ' ' SER . 62.8 pttt -67.48 -46.12 73.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.744 0.307 . . . . 1.98 110.896 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 17.9 mm-40 -61.31 -55.02 36.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 2.17 110.969 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.56 -39.24 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.76 110.993 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 20' ' ' LYS . 89.5 p -68.3 -39.24 82.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.3 110.805 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.42 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.535 . . . . 0.79 111.142 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -62.42 -26.56 68.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 3.77 110.815 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.3 mt -125.84 14.26 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.79 111.42 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 56.42 105.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 2.31 110.856 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -150.87 138.55 12.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.517 . . . . 0.93 110.779 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 28' ' ' THR . 90.3 Cg_exo -44.09 108.24 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.517 2.145 . . . . 0.64 112.39 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 43.6 mt-30 -58.04 -44.24 99.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 2.29 111.642 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 69.0 Cg_exo -50.47 -26.64 16.8 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.149 1.899 . . . . 0.71 112.228 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -84.66 -41.06 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.6 110.684 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.54 HG23 ' HB1' ' A' ' 19' ' ' ALA . 49.6 mm -47.64 -52.53 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.47 111.402 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 72' ' ' ARG . 8.5 t70 -48.87 -36.68 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 1.64 110.748 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.65 -25.56 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.711 -0.677 . . . . 0.39 110.874 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.465 ' HB3' ' HE2' ' A' ' 36' ' ' MET . 51.8 ttp -63.33 -53.45 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 1.66 110.907 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 19' ' ' ALA . 6.1 mp -74.87 -44.64 47.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 1.39 111.078 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.93 -42.64 90.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 2.33 110.948 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 33.3 ttm180 -70.07 -41.65 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 3.22 110.997 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 15.9 tpt -51.22 -55.44 18.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 2.24 110.776 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.65 -20.71 58.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 2.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -51.2 -25.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.47 110.891 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 79.9 mmm -98.06 -23.34 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 2.71 110.816 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.04 82.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.699 -0.762 . . . . 0.64 112.443 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 52.5 tptt -103.71 -87.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.537 0.208 . . . . 2.12 111.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG12 HG23 ' A' ' 47' ' ' VAL . 99.5 t -157.43 -84.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 116.623 -0.262 . . . . 1.36 111.172 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG23 HG12 ' A' ' 46' ' ' VAL . 97.8 t -145.1 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.871 0.367 . . . . 1.4 111.108 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 3.4 ppt_? -152.95 162.43 41.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 2.33 110.532 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 75' ' ' TRP . 10.0 mt -133.51 107.9 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 1.42 111.166 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.425 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 78.7 p -77.05 110.11 11.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 1.01 110.899 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.44 138.74 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -117.14 167.22 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.11 110.94 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -163.36 130.12 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 2.28 110.99 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -157.69 25.26 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 5.43 110.974 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.01 -30.56 2.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 4.91 112.553 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.46 -178.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 6.69 110.963 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 mt -100.55 169.36 9.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 6.81 110.921 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.4 p -87.56 -25.7 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 7.97 110.851 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.49 -37.36 66.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 7.5 112.431 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -85.57 164.88 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 6.87 110.797 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -110.79 -53.32 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 6.43 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -115.66 -175.55 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 6.9 110.721 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 t 178.89 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 5.99 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.4 m -79.16 156.44 76.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 5.95 110.962 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.78 -49.89 10.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.607 2.205 . . . . 7.21 112.092 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.25 -55.71 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 7.06 110.707 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.93 66.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 5.83 112.483 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -85.51 140.71 30.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 7.13 110.937 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.24 173.31 7.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 4.83 111.093 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.99 -54.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 2.22 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 76.2 m -94.58 84.81 4.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 2.18 110.718 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 76.3 mtm180 -88.84 155.63 19.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 2.92 111.189 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' CD ' ' A' ' 20' ' ' LYS . 6.6 pt20 -151.98 115.58 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 2.14 110.64 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -93.8 -169.81 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 2.19 110.824 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.521 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 4.8 t-105 -126.18 147.07 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.749 -0.659 . . . . 3.32 110.632 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.521 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 3.0 t90 -113.63 111.88 22.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 2.88 110.298 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.82 138.47 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.39 111.355 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.2 mp -105.22 -176.09 2.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 1.18 110.705 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.444 ' N ' HG11 ' A' ' 46' ' ' VAL . 20.9 ttp-105 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.181 -0.914 . . . . 4.96 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.802 0.334 . . . . 3.77 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.75 143.28 28.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.46 111.129 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -102.33 166.6 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 1.58 110.818 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.6 pp -59.4 -21.29 59.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.58 111.039 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.453 ' N ' HD12 ' A' ' 4' ' ' LEU . 38.3 tpp -51.62 -46.18 63.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.454 -0.339 . . . . 2.52 110.935 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -58.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 2.77 110.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 22' ' ' LEU . 57.8 t -56.33 -33.51 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 1.59 110.482 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -57.03 -59.15 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.834 -0.621 . . . . 2.28 110.975 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.22 -43.58 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 2.19 110.987 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.3 mtp -49.06 -56.49 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.87 111.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.0 mp -80.27 -35.03 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.39 . . . . 2.1 111.133 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -21.08 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.09 111.548 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.8 27.8 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 1.99 111.229 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -148.71 -58.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 2.19 111.044 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.58 -116.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 1.53 112.482 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.5 mpt_? -71.47 109.28 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 2.73 110.92 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.444 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 85.9 mtp -154.3 156.21 36.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.04 110.811 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' OE1' ' CE2' ' A' ' 75' ' ' TRP . 24.2 mt-10 -105.23 148.75 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.7 110.894 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -80.55 -20.96 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.56 111.12 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 21.8 ptmt -64.86 -26.44 68.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.295 -0.412 . . . . 1.98 111.153 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.85 -58.28 9.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 2.17 110.978 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -69.41 -32.55 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 1.76 111.019 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.507 ' HA ' HG22 ' A' ' 28' ' ' THR . 56.2 p -60.59 -39.27 87.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 1.3 110.684 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.25 28.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.093 -0.503 . . . . 0.79 111.048 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 3.77 110.811 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 22' ' ' LEU . 3.8 mm? -101.18 -15.52 17.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 1.79 111.328 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' SER . 54.9 mt-30 64.42 82.32 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.796 0.331 . . . . 2.31 111.261 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 23' ' ' SER . 14.5 t -139.93 146.03 45.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.93 110.831 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.07 116.56 0.6 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.48 2.12 . . . . 0.64 112.5 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.3 mm-40 -61.59 -43.86 89.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 2.29 111.645 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -53.4 -45.91 37.65 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.136 1.891 . . . . 0.71 112.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.541 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.6 110.643 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.428 HG23 ' HE2' ' A' ' 36' ' ' MET . 49.9 mm -48.23 -44.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.47 110.984 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' CD ' ' A' ' 72' ' ' ARG . 17.5 t70 -50.06 -38.39 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.64 110.875 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.62 -25.38 45.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.39 110.998 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE2' HG23 ' A' ' 33' ' ' ILE . 44.0 ttp -63.14 -57.08 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.66 110.374 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 6.6 mp -70.59 -41.48 72.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.545 . . . . 1.39 110.133 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 37.6 tt0 -53.08 -42.88 66.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.121 -0.49 . . . . 2.33 110.18 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -67.52 -45.86 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 3.22 110.481 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.41 -45.61 80.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 2.24 110.437 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.37 -28.63 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 2.34 110.234 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.19 -25.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 0.47 110.859 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.73 -25.1 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 2.71 110.749 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.58 69.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.64 112.569 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' CZ2' ' A' ' 76' ' ' TRP . 3.1 tppp? -92.0 -76.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.605 0.241 . . . . 2.12 110.908 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 HG13 ' A' ' 47' ' ' VAL . 99.4 t -154.06 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.508 -0.315 . . . . 1.36 111.16 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG13 HG12 ' A' ' 46' ' ' VAL . 34.5 m -142.72 147.34 20.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 1.4 111.449 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 38' ' ' GLU . 21.5 ptt180 -135.4 150.31 49.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 2.33 110.805 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.543 HG21 ' CZ3' ' A' ' 75' ' ' TRP . 34.1 mm -129.05 102.37 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.846 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 78.6 p -90.89 116.99 29.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.966 0.412 . . . . 1.01 111.263 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -124.96 157.32 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.967 -0.561 . . . . 2.48 110.694 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.8 t -121.31 153.09 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 1.11 111.328 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -59.39 162.76 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 2.28 110.68 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.66 110.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 5.43 110.696 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.66 30.06 2.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 4.91 112.407 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.42 ' C ' HD12 ' A' ' 57' ' ' LEU . 83.3 m -72.85 -58.4 3.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 6.69 110.979 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.8 mp -102.06 161.17 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 6.81 110.9 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.4 p -100.37 20.75 14.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 7.97 111.1 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.84 -53.93 36.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 7.5 112.418 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.6 t -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 6.87 110.776 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.6 m -149.55 -58.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 6.43 111.032 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.6 177.4 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 6.9 110.99 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p 50.54 100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 5.99 110.993 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.8 m -88.21 146.03 37.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 5.95 110.906 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.66 -49.58 2.27 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.578 2.186 . . . . 7.21 112.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 -175.38 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 7.06 110.859 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.37 46.42 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.845 -0.693 . . . . 5.83 112.394 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 24.9 ttpp -109.5 122.17 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 7.13 110.988 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 68' ' ' LYS . . . 67.93 19.14 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 4.83 111.51 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.8 117.33 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 2.22 110.973 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.442 ' CB ' ' HG3' ' A' ' 31' ' ' PRO . 80.0 m -149.65 114.29 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 2.18 110.95 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' CD ' ' OD1' ' A' ' 34' ' ' ASP . 8.6 ptp180 -145.6 164.47 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 2.92 111.204 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 17.4 pt20 -144.11 131.25 20.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 2.14 110.485 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.8 pt-20 -107.35 168.74 9.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.041 0.448 . . . . 2.19 111.78 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.543 ' CZ3' HG21 ' A' ' 49' ' ' ILE . 3.0 m0 -113.96 153.52 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 3.32 109.984 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.616 ' CZ2' HD11 ' A' ' 78' ' ' LEU . 26.1 t90 -121.41 140.15 52.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 2.88 111.534 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -148.23 137.07 21.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.39 111.113 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.5 mp -103.02 -177.46 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 1.18 110.698 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.218 -0.896 . . . . 4.96 110.809 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.866 0.365 . . . . 3.77 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.48 131.67 41.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.46 111.085 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -129.36 162.13 28.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 1.58 110.918 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD13 ' SD ' ' A' ' 40' ' ' MET . 4.3 pp -70.79 -15.32 62.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.58 111.515 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.504 ' N ' HD12 ' A' ' 4' ' ' LEU . 85.2 mtp -60.15 -40.99 91.81 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.786 0.327 . . . . 2.52 110.97 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.64 -63.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 2.77 110.751 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.0 t -55.96 -40.92 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 116.158 -0.474 . . . . 1.59 110.051 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -47.73 -56.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 2.28 110.893 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.06 -45.89 79.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 2.19 110.239 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 92.8 mmm -52.53 -28.81 22.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.87 110.559 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' A' ' 76' ' ' TRP . 75.4 mt -76.15 -56.13 4.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 2.1 111.108 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -54.13 -23.03 12.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 1.09 111.474 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 2.2 mp -107.46 17.81 22.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 1.99 111.845 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 53.4 mt-30 -158.34 -77.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 2.19 111.363 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 78' ' ' LEU . . . 133.34 -108.84 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 1.53 112.214 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -59.23 123.89 18.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 2.73 110.588 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' TRP . 57.5 mtp -160.43 175.92 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 2.04 111.165 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.9 pt-20 -148.55 141.86 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 2.7 110.855 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -75.42 -23.4 56.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.56 110.987 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -49.43 -60.0 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 1.98 111.218 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -53.85 -53.92 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 2.17 110.992 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.82 -37.04 73.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 1.76 111.065 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.5 m -66.22 -44.29 84.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 1.3 111.186 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.77 -21.79 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.79 111.587 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -84.34 -30.44 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 3.77 111.156 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.6 mm? -108.53 0.48 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.79 111.607 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 64.03 100.92 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.883 0.373 . . . . 2.31 110.835 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.53 HG23 ' HD2' ' A' ' 29' ' ' PRO . 87.8 m -163.22 139.19 5.4 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.155 -0.475 . . . . 0.93 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' HG23 ' A' ' 28' ' ' THR . 89.4 Cg_exo -43.47 138.18 5.3 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.213 . . . . 0.64 112.301 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mp0 -77.17 -44.74 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 2.29 111.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.0 Cg_exo -51.82 -47.62 25.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.15 1.9 . . . . 0.71 112.273 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.0 tm? -53.11 -45.72 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.6 110.716 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 47.3 mm -47.59 -40.43 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.47 111.267 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 74' ' ' GLU . 16.0 t70 -51.34 -38.39 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 1.64 110.801 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.41 -30.86 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.874 -0.603 . . . . 0.39 111.348 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.411 ' HE2' HG23 ' A' ' 33' ' ' ILE . 53.1 ttp -58.29 -51.41 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 1.66 111.242 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 76' ' ' TRP . 4.7 mp -79.4 -46.74 16.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 1.39 111.085 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 12.6 mm-40 -56.93 -41.61 78.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.316 . . . . 2.33 110.904 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 79.0 ttt180 -70.42 -56.23 7.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 3.22 110.617 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.552 ' SD ' HD13 ' A' ' 4' ' ' LEU . 15.1 tpt -52.94 -34.29 54.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 2.24 110.608 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.13 -27.0 24.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 2.34 110.482 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.43 -24.99 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.47 110.936 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.73 -24.82 33.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.336 -0.393 . . . . 2.71 110.585 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 56.54 0.3 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.799 -0.715 . . . . 0.64 112.688 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 76' ' ' TRP . 58.1 tptt -70.2 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.529 0.204 . . . . 2.12 110.843 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.596 HG11 ' HA ' ' A' ' 78' ' ' LEU . 75.7 t -157.55 -78.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.629 -0.259 . . . . 1.36 110.999 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 HG12 ' A' ' 46' ' ' VAL . 67.4 t -152.04 135.68 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.4 111.262 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.422 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 5.2 ppt_? -133.31 162.68 31.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 2.33 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' TRP . 69.7 mt -134.87 113.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 1.42 111.135 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -86.46 115.72 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 1.01 110.698 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CB ' ' CZ2' ' A' ' 75' ' ' TRP . 10.0 tp10 -134.67 156.74 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 2.48 111.079 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 t -114.65 155.58 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.11 111.096 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.2 p -92.15 123.07 35.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.175 -0.466 . . . . 2.28 110.802 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 59.83 152.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 5.43 110.689 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.08 -35.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.799 -0.715 . . . . 4.91 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t 67.04 -67.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 6.69 110.893 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.5 mm? -78.01 169.31 18.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.131 -0.486 . . . . 6.81 110.742 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -107.99 -33.59 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 7.97 110.969 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.59 -71.26 0.94 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.78 -0.724 . . . . 7.5 112.634 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -97.28 138.11 35.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 6.87 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.9 m -90.01 -64.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 6.43 110.966 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -86.04 -45.14 11.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 6.9 110.907 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.9 t -68.24 146.64 53.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 5.99 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.411 ' HB3' ' HD2' ' A' ' 65' ' ' PRO . 84.4 m -139.26 159.98 64.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 5.95 110.856 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 64' ' ' CYS . 86.8 Cg_exo -46.65 -41.78 24.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.535 2.157 . . . . 7.21 112.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -125.03 -44.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 7.06 110.84 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.81 24.35 5.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 5.83 112.483 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 15.1 ptmm? -57.36 150.82 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 7.13 110.679 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' LYS . . . 67.56 -67.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 4.83 111.108 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 60.61 125.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 2.22 111.183 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -153.8 103.21 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 2.18 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -132.13 100.88 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 2.92 110.966 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.36 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 2.14 110.95 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -94.81 171.77 8.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 2.19 110.669 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 13.6 m0 -125.02 149.61 47.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 3.32 110.763 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.504 ' CG ' HD11 ' A' ' 11' ' ' LEU . 49.6 m95 -95.82 147.68 23.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 2.88 111.193 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 126.79 3.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.057 -0.52 . . . . 0.39 111.05 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 78' ' ' LEU . 5.0 mp -101.11 -176.39 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.18 110.94 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.315 -0.85 . . . . 4.96 110.819 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.873 0.368 . . . . 3.77 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.69 140.61 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 1.46 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 m -136.21 155.07 50.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.811 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp -62.44 -22.55 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 0.58 111.095 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.448 ' N ' HD12 ' A' ' 4' ' ' LEU . 23.0 ttt -56.88 -40.69 76.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 2.52 110.992 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.28 -64.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 2.77 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.56 -38.13 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 1.59 110.37 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -49.89 -59.27 4.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.661 -0.7 . . . . 2.28 111.04 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 2.19 111.246 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.402 ' HE2' HD11 ' A' ' 22' ' ' LEU . 82.4 mtp -50.71 -55.78 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.87 111.065 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 11' ' ' LEU . 7.6 mp -73.81 -42.89 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 2.1 111.027 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -50.17 -26.82 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.09 111.133 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD12 ' C ' ' A' ' 12' ' ' ALA . 2.6 mp -112.15 20.73 16.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 1.99 111.376 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -136.74 -48.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.498 -0.319 . . . . 2.19 110.953 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.82 -132.72 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 1.53 112.646 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -87.78 139.73 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 2.73 110.972 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.47 175.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 2.04 111.151 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 15.1 pt-20 -133.71 163.16 30.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 2.7 110.801 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -79.85 -22.68 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.56 111.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 55.4 tttp -48.01 -53.16 17.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.37 -0.377 . . . . 1.98 111.016 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -53.96 -51.37 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.17 110.966 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD11 ' HE2' ' A' ' 10' ' ' MET . 87.3 mt -65.69 -28.89 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.76 110.829 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' THR . 44.0 t -78.11 -27.04 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 1.3 110.91 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 -33.78 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.79 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -61.91 -24.68 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 3.77 110.966 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.53 8.36 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 1.79 111.665 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.22 21.73 12.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.703 0.287 . . . . 2.31 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' HD2' ' A' ' 29' ' ' PRO . 90.5 m -66.36 140.16 96.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 0.93 111.005 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HD2' HG23 ' A' ' 28' ' ' THR . 71.1 Cg_exo -48.51 132.77 25.41 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.64 112.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 48.0 mt-30 -82.89 -44.33 0.89 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 2.29 111.628 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 77.9 Cg_exo -48.13 -39.22 33.71 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.308 2.005 . . . . 0.71 112.418 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.5 tm? -67.8 -44.07 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.6 110.847 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 48.5 mm -48.46 -36.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.47 111.372 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.9 t70 -47.49 -37.53 12.05 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.147 0.499 . . . . 1.64 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.7 -29.47 32.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.734 . . . . 0.39 110.762 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.41 ' HB3' HD22 ' A' ' 37' ' ' LEU . 42.2 tpp -56.64 -49.52 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 1.66 110.386 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -78.84 -46.62 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 1.39 110.568 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.88 -45.18 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 2.33 110.405 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 77.1 ttt180 -66.7 -48.51 69.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.011 -0.541 . . . . 3.22 110.583 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.409 ' HB2' ' HE3' ' A' ' 40' ' ' MET . 41.4 ttm -54.87 -49.39 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 2.24 110.449 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' A' ' 48' ' ' ARG . 18.1 mm-40 -74.99 -17.92 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 2.34 111.198 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.44 -26.62 5.25 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.91 0.386 . . . . 0.47 111.156 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.4 mmt -82.2 -23.7 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 2.71 110.706 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.72 45.24 1.14 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.76 -0.733 . . . . 0.64 112.283 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 75.0 mmtt -52.69 -80.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.695 0.284 . . . . 2.12 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.493 HG12 HG23 ' A' ' 47' ' ' VAL . 21.5 t -156.52 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 1.36 110.984 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.493 HG23 HG12 ' A' ' 46' ' ' VAL . 96.1 t -149.78 149.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 1.4 110.83 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -157.93 139.67 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 2.33 110.884 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.6 mm -118.38 127.43 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 1.42 111.283 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 88.3 p -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 1.01 110.857 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.84 144.91 49.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 2.48 111.18 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.0 p -105.3 131.75 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.11 111.053 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 t -78.5 96.43 5.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 2.28 110.669 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -125.65 -70.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 5.43 110.87 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 -48.84 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 4.91 112.513 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -102.69 -60.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 6.69 110.895 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.9 tm? -53.5 -66.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 6.81 110.534 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.9 t -93.11 21.83 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 7.97 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.69 -39.29 75.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 7.5 112.39 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -108.3 -63.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 6.87 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.42 -174.0 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 6.43 110.844 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -142.75 103.78 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 6.9 110.845 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.2 p -175.91 130.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 5.99 110.706 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -135.17 140.06 33.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 5.95 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.01 -42.33 4.29 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.533 2.155 . . . . 7.21 112.281 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.22 -162.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 7.06 110.895 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.38 107.15 0.94 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.826 -0.702 . . . . 5.83 112.458 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.96 114.66 1.51 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.93 0.395 . . . . 7.13 111.059 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 47.84 89.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 4.83 111.293 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.08 135.71 41.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 2.22 110.822 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.0 p -51.39 105.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 2.18 110.818 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.32 128.01 21.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 2.92 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -134.91 146.1 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 2.14 110.767 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -103.59 178.01 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 2.19 111.153 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CE3' ' OE2' ' A' ' 18' ' ' GLU . 3.0 t-105 -126.35 140.08 52.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 3.32 110.33 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 69.7 t90 -107.07 115.92 31.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 2.88 110.8 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB1' ' HG3' ' A' ' 16' ' ' ARG . . . -144.83 160.45 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.39 111.294 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.0 mp -98.17 -171.65 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 1.18 110.573 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.165 -0.921 . . . . 4.96 110.835 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.856 0.36 . . . . 3.77 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.82 108.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.46 111.178 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -99.55 177.12 5.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.58 110.841 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.866 HD13 ' HE2' ' A' ' 40' ' ' MET . 4.0 pp -74.36 -13.63 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.58 111.552 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.514 ' N ' HD12 ' A' ' 4' ' ' LEU . 47.1 ttm -49.55 -50.56 41.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 2.52 111.231 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' MET . 11.1 tp10 -52.05 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 2.77 110.781 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 4' ' ' LEU . 29.6 m -54.75 -29.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.151 0.501 . . . . 1.59 110.205 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' MET . 38.6 ttt180 -54.25 -56.28 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 2.28 110.292 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.79 -38.96 90.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 2.19 110.641 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 82.2 mmm -49.29 -57.61 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 1.87 110.973 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 17' ' ' MET . 3.6 mm? -62.55 -38.72 91.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 2.1 111.003 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.63 -40.14 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 1.09 111.263 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -50.1 -58.99 4.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 1.99 111.175 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.41 -74.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 2.19 111.035 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 156.14 -37.62 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 1.53 112.658 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 10.3 mpt_? -104.49 103.03 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 2.73 111.29 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.611 ' HB2' HD13 ' A' ' 11' ' ' LEU . 48.1 mtt -155.01 173.75 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 2.04 110.854 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -149.62 156.76 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 2.7 111.08 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' HE1' ' A' ' 36' ' ' MET . . . -83.03 -13.58 55.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.56 111.617 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 85.5 tttt -46.93 -56.02 7.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.678 0.275 . . . . 1.98 111.342 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.58 -52.3 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 2.17 110.812 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.6 mp -58.85 -30.62 67.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.76 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -73.65 -30.39 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.3 110.986 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.37 -27.32 29.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.79 111.186 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -92.32 -20.91 20.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 3.77 111.181 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.56 -16.6 14.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 1.79 111.403 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.61 97.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 2.31 110.671 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.549 HG23 ' HD2' ' A' ' 29' ' ' PRO . 82.0 m -154.21 139.53 12.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.93 111.002 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 28' ' ' THR . 85.4 Cg_exo -39.33 119.51 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.652 2.234 . . . . 0.64 112.542 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 20.9 mp0 -65.74 -43.81 61.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 2.29 111.731 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -52.99 -19.97 12.52 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.146 1.897 . . . . 0.71 112.375 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -87.26 -42.17 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.6 110.286 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 48.9 mm -50.17 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.47 111.38 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 4.1 p30 -48.49 -39.01 21.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.865 0.364 . . . . 1.64 110.921 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.3 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.39 110.719 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.432 ' HE1' ' CB ' ' A' ' 19' ' ' ALA . 55.1 ttp -61.92 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 1.66 110.306 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD12 ' HG3' ' A' ' 74' ' ' GLU . 82.6 mt -64.29 -49.56 71.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.014 -0.539 . . . . 1.39 110.131 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' ALA . 10.1 tp10 -53.48 -37.74 62.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 2.33 110.484 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -61.37 -59.33 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 3.22 111.021 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.866 ' HE2' HD13 ' A' ' 4' ' ' LEU . 42.8 tpp -56.62 -36.29 69.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 2.24 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.71 -20.18 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 2.34 111.157 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -39.14 42.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.47 111.243 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.42 -26.71 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 2.71 110.623 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.42 55.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.756 -0.735 . . . . 0.64 112.805 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 40' ' ' MET . 60.3 mmtt -65.84 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 2.12 111.135 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG12 HG23 ' A' ' 47' ' ' VAL . 99.1 t -153.81 -84.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 1.36 111.207 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.57 HG23 HG12 ' A' ' 46' ' ' VAL . 98.8 t -144.2 139.66 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.825 0.345 . . . . 1.4 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -131.89 162.52 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 2.33 111.021 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.8 mt -145.34 111.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 1.42 110.951 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 29.2 t -93.6 117.9 30.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.01 111.211 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.76 154.31 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 2.48 110.748 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.3 p -90.25 166.63 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 1.11 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -88.78 102.57 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 2.28 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 129.36 29.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 5.43 111.059 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' LEU . . . -110.52 89.6 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 4.91 112.467 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.4 t 67.33 -68.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.889 0.376 . . . . 6.69 110.998 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' GLY . 47.7 tp -65.66 125.31 24.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 6.81 110.993 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.2 p -124.2 26.88 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 7.97 110.999 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.3 52.99 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.777 . . . . 7.5 112.632 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -131.36 160.63 34.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 6.87 110.957 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.9 t -52.94 -49.17 66.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 6.43 110.589 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 64.37 -76.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 6.9 111.355 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -56.6 110.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 5.99 110.926 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.0 m -134.79 151.21 75.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 5.95 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.07 -30.12 7.4 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 7.21 112.395 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -128.88 -60.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 7.06 110.906 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.37 74.6 1.25 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.827 -0.701 . . . . 5.83 112.464 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -52.38 118.42 3.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.74 0.305 . . . . 7.13 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 55.53 22.07 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 4.83 111.487 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.54 123.92 16.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 2.22 111.033 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.16 120.03 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 2.18 110.878 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HG3' ' OD2' ' A' ' 34' ' ' ASP . 10.0 ptp180 -144.32 151.38 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 2.92 111.099 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -147.99 135.28 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 2.14 110.498 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.52 ' HG3' HD12 ' A' ' 37' ' ' LEU . 13.0 pt-20 -105.85 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.102 0.477 . . . . 2.19 111.888 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 2.1 t-105 -120.14 140.27 51.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 3.32 110.287 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.579 ' O ' HD11 ' A' ' 11' ' ' LEU . 10.3 t90 -110.32 117.77 34.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.938 0.399 . . . . 2.88 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -134.72 138.68 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.39 111.143 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.8 mp -108.57 179.79 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 1.18 110.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.183 -0.913 . . . . 4.96 110.865 179.838 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 3.77 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.64 104.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 1.46 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -93.53 170.18 9.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 1.58 111.121 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp -61.2 -17.25 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.58 111.324 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.484 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtt -60.7 -29.99 69.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 2.52 110.941 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.92 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 2.77 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 19' ' ' ALA . 97.0 t -57.85 -32.9 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.142 -0.481 . . . . 1.59 110.415 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.01 -61.25 2.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 2.28 110.786 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.29 -51.2 59.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 2.19 110.498 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -58.85 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.87 110.368 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 ' CZ3' ' A' ' 76' ' ' TRP . 21.1 tp -66.01 -58.33 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 2.1 110.603 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.77 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 1.09 110.994 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.55 3.36 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 1.99 111.626 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -151.63 -69.48 0.17 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.815 0.341 . . . . 2.19 110.907 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 99.8 136.75 9.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 1.53 112.421 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.2 mpt_? 55.77 94.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.703 0.287 . . . . 2.73 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.404 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 68.9 mtm -159.64 175.14 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 2.04 110.82 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -123.18 149.09 45.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 2.7 110.741 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.14 -18.72 41.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.56 111.479 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -52.81 -43.28 65.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 1.98 111.128 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.22 -57.54 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 2.17 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.24 -29.2 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 1.76 111.041 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.7 t -76.45 -25.94 54.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.807 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.5 -42.75 52.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.79 110.802 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -72.72 -28.74 62.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 3.77 110.86 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -96.86 -16.26 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.79 111.542 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 64.01 93.34 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.821 0.344 . . . . 2.31 111.01 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.462 HG23 ' HD2' ' A' ' 29' ' ' PRO . 40.1 m -151.07 138.91 12.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.93 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 28' ' ' THR . 82.6 Cg_exo -44.49 132.95 9.78 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.425 2.083 . . . . 0.64 112.414 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.1 mp0 -65.86 -46.0 65.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 2.29 111.579 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 88.9 Cg_exo -45.57 -39.89 17.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.257 1.971 . . . . 0.71 112.143 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -68.57 -51.47 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.6 110.678 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.8 mm -47.85 -47.21 12.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.281 -0.418 . . . . 0.47 110.957 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 14.6 t70 -58.36 -39.03 78.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.64 110.393 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -26.32 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.39 110.752 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.06 -60.22 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 1.66 110.142 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 37' ' ' LEU . 6.4 mp -67.31 -45.89 75.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.864 -0.607 . . . . 1.39 109.863 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' ALA . 39.0 tt0 -52.85 -54.02 40.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 2.33 109.952 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -53.86 -39.31 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.65 . . . . 3.22 110.347 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.4 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 16.8 tpt -64.55 -62.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.598 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.77 -17.87 64.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 2.34 110.965 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -24.52 2.97 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.786 0.327 . . . . 0.47 111.236 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.405 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 59.1 mtt -87.64 -25.27 23.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 2.71 110.724 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.51 56.65 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.816 -0.707 . . . . 0.64 112.516 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 3.4 mptp? -71.74 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.618 0.247 . . . . 2.12 111.089 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 78' ' ' LEU . 58.6 t -144.01 -83.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.61 -0.268 . . . . 1.36 111.595 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 77' ' ' ALA . 33.5 m -146.83 142.11 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 CA-C-O 121.053 0.454 . . . . 1.4 111.771 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' HD13 ' A' ' 49' ' ' ILE . 5.9 ppt_? -141.46 159.65 41.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 2.33 110.348 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 48' ' ' ARG . 40.9 mm -132.61 113.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 1.42 111.329 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.454 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.8 p -95.58 119.37 33.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 1.01 111.296 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -133.6 146.58 51.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 2.48 110.553 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -106.1 160.52 15.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 1.11 111.342 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -116.39 146.83 42.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 2.28 110.805 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -85.19 -62.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.361 -0.381 . . . . 5.43 110.882 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.78 27.31 7.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 4.91 112.444 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.9 m -141.18 -61.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 6.69 110.969 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.7 mp 54.98 22.7 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 6.81 110.839 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -82.96 -35.41 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 7.97 110.952 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.39 -51.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.635 -0.793 . . . . 7.5 112.513 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -91.09 142.9 27.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.876 0.369 . . . . 6.87 111.022 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m -117.19 -73.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 6.43 110.788 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -71.11 -42.13 69.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 6.9 110.904 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p 50.03 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 5.99 111.02 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.4 142.76 58.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 5.95 110.677 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.67 -40.2 67.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.55 2.167 . . . . 7.21 112.219 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 67.06 -65.04 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 7.06 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.51 -54.05 0.79 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.699 -0.762 . . . . 5.83 112.65 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -85.34 137.4 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 7.13 110.815 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -171.99 115.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 4.83 111.096 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 2.22 111.15 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.4 p -67.44 117.74 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 2.18 111.074 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 29.3 ptt180 -150.71 139.44 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 2.92 110.8 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -150.43 121.99 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 2.14 110.907 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.4 pt-20 -107.09 179.16 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.896 0.379 . . . . 2.19 111.281 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.52 ' CD1' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m0 -126.05 146.27 49.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 3.32 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.478 ' CZ3' HD21 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -102.96 125.78 49.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 2.88 110.611 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 47' ' ' VAL . . . -145.73 165.74 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.153 0.502 . . . . 0.39 111.845 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.9 mp -108.09 -173.67 2.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 1.18 110.708 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.204 -0.903 . . . . 4.96 110.843 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.77 0.319 . . . . 3.77 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.21 102.37 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.408 . . . . 1.46 111.054 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' HB2' ' HG2' ' A' ' 5' ' ' MET . 69.7 m -91.41 156.68 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 1.58 110.81 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp -69.88 -21.34 63.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.58 111.228 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.454 ' N ' HD12 ' A' ' 4' ' ' LEU . 24.9 ptm -54.3 -35.63 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 2.52 111.049 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.27 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.531 . . . . 2.77 110.656 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG22 HD13 ' A' ' 11' ' ' LEU . 13.8 p -61.68 -29.09 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.488 -0.778 . . . . 1.59 110.32 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -53.85 -60.53 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.524 -0.762 . . . . 2.28 110.958 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.3 -45.49 91.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 2.19 111.201 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 94.8 mmm -47.13 -56.81 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 1.87 111.3 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD13 HG22 ' A' ' 7' ' ' VAL . 8.3 mp -74.59 -25.16 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 2.1 110.856 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -54.28 -39.73 67.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 1.09 110.915 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 12' ' ' ALA . 3.2 mp -107.76 27.53 9.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.542 . . . . 1.99 110.98 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . 7.4 tp60 -127.86 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.19 110.852 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.73 -125.95 3.14 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.7 -0.762 . . . . 1.53 112.435 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.7 mpt_? -74.88 123.13 24.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.706 0.289 . . . . 2.73 110.761 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 7.4 mtp -170.2 175.55 4.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 2.04 111.188 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 16.3 pt-20 -141.47 141.75 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 2.7 110.705 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -64.06 -20.34 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.56 111.194 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -48.33 -51.68 25.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 1.98 111.132 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -55.22 -56.12 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 2.17 110.741 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.57 -26.49 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 1.76 111.035 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -62.02 -49.11 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 1.3 110.927 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.47 -34.64 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.79 111.124 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -68.22 -26.59 65.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 3.77 111.016 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.83 11.67 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.79 111.382 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 57.1 107.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.895 0.379 . . . . 2.31 110.991 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.503 HG23 ' HD2' ' A' ' 29' ' ' PRO . 85.6 m -162.79 138.06 5.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.93 110.71 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 28' ' ' THR . 6.3 Cg_endo -49.58 143.04 22.57 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.616 2.21 . . . . 0.64 112.243 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.5 mt-30 -77.09 -44.22 2.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 2.29 111.894 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.3 Cg_exo -56.36 -34.59 94.61 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.046 1.831 . . . . 0.71 112.129 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -67.43 -37.8 83.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.6 110.708 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 19' ' ' ALA . 50.1 mm -48.49 -54.65 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.47 111.456 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HB2' ' HG3' ' A' ' 72' ' ' ARG . 13.6 t70 -49.13 -40.03 30.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 1.64 110.85 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.21 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.39 110.82 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.2 ttm -64.7 -54.59 29.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.66 110.64 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 19' ' ' ALA . 2.8 mm? -73.78 -46.97 42.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 1.39 110.437 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ALA . 9.6 tp10 -54.38 -40.11 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 2.33 110.403 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -65.47 -53.68 39.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 3.22 110.672 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.445 ' HE1' ' CE3' ' A' ' 76' ' ' TRP . 53.3 ttp -56.63 -39.52 73.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.574 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 4.6 tm-20 -82.05 -21.49 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 2.34 110.758 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -33.5 20.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.356 -0.384 . . . . 0.47 111.13 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 ptm -73.06 -26.77 61.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 2.71 110.449 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 55.97 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.657 -0.782 . . . . 0.64 112.995 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 72.8 mmtt -71.35 -82.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.726 0.298 . . . . 2.12 110.903 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG11 ' N ' ' A' ' 79' ' ' ARG . 85.3 t -153.39 -83.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 1.36 111.2 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 48' ' ' ARG . 12.4 p -146.29 155.72 12.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 1.4 111.352 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.8 ppt_? -149.95 162.15 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 2.33 110.989 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -140.78 116.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 1.42 111.092 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.5 p -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.01 111.383 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -114.36 147.68 38.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 2.48 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t -82.03 169.26 16.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 1.11 110.873 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.5 m -48.25 165.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 2.28 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 65.28 153.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 5.43 110.752 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.11 140.37 13.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.637 -0.792 . . . . 4.91 112.632 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m 65.91 -179.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 6.69 110.884 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.3 mp 64.84 112.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 6.81 110.961 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.2 p -102.04 26.62 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 7.97 110.836 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.61 -10.84 85.98 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.835 -0.697 . . . . 7.5 112.966 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.5 p -102.95 113.67 27.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.863 0.363 . . . . 6.87 111.04 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -80.93 174.38 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 6.43 110.972 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -88.21 101.76 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 6.9 110.859 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.7 m -166.1 109.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 5.99 110.858 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.7 m -127.35 148.79 67.76 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 5.95 110.972 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.89 -46.87 2.15 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.652 2.234 . . . . 7.21 112.249 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.6 -177.76 6.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 7.06 110.878 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.2 61.8 1.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 5.83 112.376 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 62.9 tttp -97.47 147.24 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 7.13 110.75 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . 68.39 -62.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 4.83 111.275 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 69' ' ' ALA . . . 67.89 131.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 2.22 111.053 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 51.3 t -167.58 117.92 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 2.18 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' HG3' ' HB2' ' A' ' 34' ' ' ASP . 8.4 ptp180 -155.47 155.28 33.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 2.92 110.91 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -147.52 130.49 16.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 2.14 110.572 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 13.0 pt-20 -114.12 170.59 8.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.238 0.542 . . . . 2.19 111.873 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 2.4 t-105 -117.53 142.85 46.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.406 -0.815 . . . . 3.32 110.383 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 29.2 t90 -114.75 132.19 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 2.88 110.847 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.442 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -141.96 149.18 39.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.115 -0.493 . . . . 0.39 111.091 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.6 mp -108.88 169.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 1.18 110.629 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.506 ' N ' HG11 ' A' ' 46' ' ' VAL . 40.6 ttm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.18 -0.914 . . . . 4.96 110.937 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.853 0.359 . . . . 3.77 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.45 141.43 37.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 1.46 111.073 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p -133.36 -173.96 3.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 1.58 110.74 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp -72.09 -18.12 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.58 111.203 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.499 ' N ' HD12 ' A' ' 4' ' ' LEU . 74.0 mtp -57.05 -36.06 70.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.965 0.412 . . . . 2.52 110.767 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.87 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 2.77 110.408 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.424 ' O ' HD23 ' A' ' 11' ' ' LEU . 49.1 t -56.84 -36.34 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 1.59 110.443 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 76' ' ' TRP . 73.9 ttt180 -49.24 -57.98 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.692 -0.685 . . . . 2.28 110.893 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 2.19 110.641 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.5 mmt -53.97 -47.0 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.87 110.928 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 15' ' ' GLY . 3.1 mm? -80.4 -27.19 38.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 2.1 110.888 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.69 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 1.09 111.15 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.9 mt -103.96 -55.88 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 1.99 110.961 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -62.59 -64.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 2.19 111.116 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 138.04 -100.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 1.53 112.52 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.1 mpt_? -101.56 122.72 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.655 0.264 . . . . 2.73 110.786 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 56.5 mtm -160.29 175.38 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 2.04 111.206 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 1.0 OUTLIER -119.54 159.99 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 2.7 110.561 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -82.97 -24.37 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.56 111.405 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 73' ' ' GLN . 22.1 pttp -59.92 -34.07 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 1.98 110.904 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -62.36 -57.54 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 2.17 110.786 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.64 -52.1 62.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 1.76 110.804 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -53.92 -27.39 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.3 110.825 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.72 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.79 111.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' C ' HD22 ' A' ' 26' ' ' LEU . 31.9 mmm180 -84.5 -29.86 25.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 3.77 110.886 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -103.71 -6.47 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.79 111.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.3 113.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.941 0.4 . . . . 2.31 111.035 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.461 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.7 m -163.01 139.44 5.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.93 110.844 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 28' ' ' THR . 78.0 Cg_exo -50.76 112.67 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.64 112.26 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 78.2 mt-30 -55.24 -46.99 99.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 2.29 111.549 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 98.0 Cg_exo -42.73 -37.32 5.69 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.341 2.028 . . . . 0.71 112.303 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.3 tm? -80.28 -34.8 36.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 0.6 110.61 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 30' ' ' GLN . 49.1 mm -49.89 -53.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.47 111.4 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 18.3 t70 -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.36 . . . . 1.64 110.986 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' ARG . . . -71.13 -28.46 64.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.332 -0.395 . . . . 0.39 110.74 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.53 -52.17 54.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.66 109.984 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD12 ' HG3' ' A' ' 74' ' ' GLU . 50.4 mt -68.92 -51.75 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.797 -0.638 . . . . 1.39 109.708 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.5 tt0 -48.65 -39.45 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.669 -0.696 . . . . 2.33 110.914 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' ALA . 2.2 tmt_? -66.37 -54.57 22.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.22 110.519 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -53.51 -39.2 64.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 2.24 110.508 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -85.98 -19.25 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 2.34 110.892 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.42 -24.65 3.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.508 -0.315 . . . . 0.47 110.982 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 76.8 mtp -87.67 -25.85 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 2.71 110.766 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.47 59.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.807 -0.711 . . . . 0.64 112.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HG3' HG22 ' A' ' 46' ' ' VAL . 48.5 tptt -75.13 -70.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 2.12 110.915 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -156.44 -90.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.325 . . . . 1.36 111.571 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 46' ' ' VAL . 22.2 t -144.82 153.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.814 0.34 . . . . 1.4 111.025 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 3.3 ppt_? -150.21 162.25 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 2.33 111.457 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.8 mt -141.34 113.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 1.42 110.747 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.5 p -89.57 133.37 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 1.01 111.692 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.7 146.87 46.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.596 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -123.3 129.03 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.11 111.206 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.3 p -174.41 151.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 2.28 110.786 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -174.29 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 5.43 111.17 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.24 -101.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.587 -0.816 . . . . 4.91 112.663 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 72.3 m -54.58 175.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.352 . . . . 6.69 111.084 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 57' ' ' LEU . 5.0 mp -97.27 27.3 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 6.81 110.701 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.2 m -75.69 -21.1 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 7.97 111.151 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.6 57.05 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.633 -0.794 . . . . 7.5 112.569 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.1 t -76.86 142.9 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 6.87 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 69.0 m 62.06 -174.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.962 -0.563 . . . . 6.43 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -86.3 -36.61 19.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 6.9 110.751 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.4 p -58.61 150.99 21.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 5.99 110.743 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.0 p -89.05 150.65 45.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 5.95 110.927 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.45 -32.56 31.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.535 2.156 . . . . 7.21 112.208 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 67' ' ' GLY . 31.8 tt0 -142.95 -86.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 7.06 111.082 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' A' ' 66' ' ' GLU . . . -140.5 -62.52 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.836 -0.697 . . . . 5.83 112.281 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.06 108.36 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 7.13 110.831 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.6 116.09 28.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 4.83 111.128 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 111.76 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 2.22 110.991 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 81.2 m 58.53 111.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 2.18 110.644 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -136.61 136.2 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 2.92 111.018 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 18.8 pt20 -145.91 137.0 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 2.14 110.667 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.601 ' HG3' HD12 ' A' ' 37' ' ' LEU . 12.7 pt-20 -113.7 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 2.19 111.322 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 48.7 m0 -108.81 152.93 24.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 3.32 110.813 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 8' ' ' ARG . 7.4 t90 -123.37 114.06 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 2.88 110.882 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.29 152.84 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.39 111.323 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.3 mp -100.75 161.55 13.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.996 -0.547 . . . . 1.18 110.714 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.431 ' HG2' HG12 ' A' ' 46' ' ' VAL . 9.8 ptp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.18 -0.914 . . . . 4.96 110.943 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.9 mtp . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.869 0.366 . . . . 3.77 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.52 109.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 1.46 111.093 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -106.44 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.58 110.79 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.6 pp -79.36 -17.11 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.58 111.2 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.8 tpp -49.94 -44.19 50.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.366 . . . . 2.52 111.011 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' MET . 45.0 mt-10 -60.39 -63.84 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 2.77 110.907 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' HD13 ' A' ' 11' ' ' LEU . 14.6 p -60.86 -26.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 1.59 110.621 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 72.1 ttt180 -59.71 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 2.28 111.067 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.62 -47.2 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 2.19 111.026 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 84.9 mmm -47.25 -49.83 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 1.87 111.319 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 17' ' ' MET . 9.0 mp -83.16 -38.06 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.363 . . . . 2.1 111.179 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -52.54 -23.32 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.367 . . . . 1.09 111.141 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -96.01 -11.46 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.575 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -107.4 -79.39 0.58 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.793 0.33 . . . . 2.19 111.254 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.56 -134.2 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.9 -0.667 . . . . 1.53 112.314 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.5 mpt_? -58.14 119.71 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 2.73 110.907 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 68.0 mtp -159.41 172.53 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 2.04 110.893 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -126.31 148.97 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.397 . . . . 2.7 110.905 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.554 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -83.1 -18.89 37.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.56 111.612 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 21.0 pttp -58.66 -39.24 80.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.756 0.312 . . . . 1.98 110.749 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -61.76 -57.69 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 2.17 110.722 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.62 -28.69 69.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 1.76 110.716 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -71.47 -39.93 70.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 1.3 110.855 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.57 87.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.79 111.143 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.62 -25.17 67.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.381 -0.372 . . . . 3.77 110.94 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.4 -4.5 22.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 1.79 111.616 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 67.93 25.94 7.6 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 2.31 111.024 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.401 HG23 ' HD2' ' A' ' 29' ' ' PRO . 87.3 m -77.06 138.41 65.15 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.93 111.14 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 28' ' ' THR . 52.0 Cg_exo -53.67 114.35 1.73 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.492 2.128 . . . . 0.64 112.388 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.2 mt-30 -57.96 -44.98 99.79 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 2.29 111.676 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 78.3 Cg_exo -50.68 -33.96 41.89 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.143 1.896 . . . . 0.71 112.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.6 110.981 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 50.2 mm -48.46 -32.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.47 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.4 t70 -55.82 -36.45 67.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 1.64 110.514 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.69 -27.56 37.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.818 -0.628 . . . . 0.39 111.032 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.16 -56.46 20.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 1.66 110.761 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.9 mp -74.74 -41.9 59.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 1.39 110.688 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.6 tp10 -59.83 -44.64 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 2.33 110.6 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 71.6 ttt180 -68.42 -57.33 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 3.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 tpt -49.83 -39.42 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.978 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -87.18 -21.46 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 2.34 111.249 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 38' ' ' GLU . . . -50.34 -26.01 4.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.778 0.323 . . . . 0.47 111.105 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 68.2 mtm -88.01 -24.27 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.71 110.817 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.78 58.95 0.54 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.743 -0.741 . . . . 0.64 112.376 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HG3' HG22 ' A' ' 46' ' ' VAL . 25.8 tptp -80.92 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 2.12 110.676 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -153.41 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.173 -0.467 . . . . 1.36 111.42 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 48' ' ' ARG . 61.7 t -148.47 156.77 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 1.4 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -150.45 150.36 31.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 2.33 111.028 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.408 HD13 ' O ' ' A' ' 48' ' ' ARG . 26.6 mm -128.06 98.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.42 110.763 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.422 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 80.7 p -72.55 109.33 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 1.01 111.016 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' HG2' ' CZ2' ' A' ' 75' ' ' TRP . 10.5 tp10 -121.92 158.94 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.625 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 t -121.43 168.98 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 1.11 111.371 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.7 m 63.88 155.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 2.28 111.027 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.74 -55.73 20.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 5.43 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.93 53.59 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.627 -0.797 . . . . 4.91 112.647 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.423 ' HB3' HD12 ' A' ' 57' ' ' LEU . 79.3 m -126.17 172.08 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 6.69 111.035 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.8 mp 50.74 24.8 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 6.81 110.982 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.0 p -99.94 22.11 11.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 7.97 110.87 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.22 70.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 7.5 112.593 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -167.62 121.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 6.87 110.944 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.6 m 56.0 167.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 6.43 110.923 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -71.9 149.26 45.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 6.9 111.021 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.9 m -111.57 -23.14 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 5.99 111.032 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.18 144.78 41.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 5.95 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.62 -36.72 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.663 2.242 . . . . 7.21 112.425 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -110.03 -57.56 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 7.06 111.014 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.27 20.65 10.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 5.83 112.531 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.13 104.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.923 0.392 . . . . 7.13 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -147.58 -178.3 6.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 4.83 111.149 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.64 -65.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.22 111.14 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.8 p -65.99 116.62 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 2.18 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -140.44 131.72 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 2.92 111.065 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.441 ' CG ' ' HB3' ' A' ' 20' ' ' LYS . 3.4 pp0? -140.61 141.83 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 2.14 110.943 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -101.39 171.59 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 2.19 110.505 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CZ2' ' HG2' ' A' ' 51' ' ' GLU . 19.9 m0 -121.99 122.28 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 3.32 110.392 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.467 ' CZ2' ' CG2' ' A' ' 46' ' ' VAL . 53.4 t-105 -76.63 147.58 37.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 2.88 111.127 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.52 137.4 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.39 111.114 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.6 mp -103.47 158.39 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.18 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.027 -0.987 . . . . 4.96 111.033 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.812 0.339 . . . . 3.77 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.24 135.98 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 1.46 111.164 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -111.86 179.84 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.58 110.797 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.584 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp -80.6 -14.14 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.58 111.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.551 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.1 mtt -55.72 -46.35 77.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.868 0.366 . . . . 2.52 110.859 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.17 -64.12 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 2.77 111.152 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.587 ' O ' HD23 ' A' ' 11' ' ' LEU . 22.9 m -57.45 -37.73 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 1.59 110.368 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -49.62 -53.66 22.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.701 . . . . 2.28 110.973 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.98 -46.17 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 2.19 110.676 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -52.33 -48.04 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.87 110.497 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.593 HD12 ' CE3' ' A' ' 76' ' ' TRP . 4.1 mm? -61.44 -47.62 84.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 2.1 110.713 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.2 51.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.09 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 mt -99.89 -22.31 15.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 1.99 111.139 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -106.91 -73.22 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.915 0.388 . . . . 2.19 110.949 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.25 137.98 10.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.637 -0.792 . . . . 1.53 112.992 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 16' ' ' ARG . 8.9 mpt_? 61.8 80.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 2.73 111.291 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.52 ' HB2' HD11 ' A' ' 11' ' ' LEU . 60.7 mtt -161.1 175.01 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 2.04 111.218 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' CD ' ' CE3' ' A' ' 75' ' ' TRP . 24.9 mt-10 -124.31 153.79 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 2.7 110.58 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.69 -20.33 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.56 111.355 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -53.8 -46.82 71.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 1.98 110.892 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -67.1 -57.54 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 2.17 110.959 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.76 111.088 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -63.83 -43.89 94.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 1.3 111.074 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.27 98.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.79 111.342 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.98 -24.66 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.373 . . . . 3.77 111.205 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.26 4.29 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.494 -0.321 . . . . 1.79 111.663 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 66.4 99.15 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.751 0.31 . . . . 2.31 111.097 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.507 HG23 ' HD2' ' A' ' 29' ' ' PRO . 67.7 m -163.35 139.07 5.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.93 111.037 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 28' ' ' THR . 79.6 Cg_exo -45.41 114.02 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.483 2.122 . . . . 0.64 112.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 27.4 tt0 -57.93 -44.1 99.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 2.29 111.499 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 50.6 Cg_exo -54.25 -57.28 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.268 1.978 . . . . 0.71 112.241 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -46.66 -32.02 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.953 0.406 . . . . 0.6 111.043 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.528 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 45.8 mm -51.81 -33.02 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.137 -0.483 . . . . 0.47 111.054 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' HB3' ' HG3' ' A' ' 72' ' ' ARG . 2.0 p30 -51.33 -36.13 41.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.129 0.49 . . . . 1.64 110.362 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -81.04 -28.25 35.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.39 110.782 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.417 ' SD ' ' HB1' ' A' ' 19' ' ' ALA . 49.9 ttm -56.87 -54.07 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 1.66 110.452 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 19' ' ' ALA . 8.2 mp -76.89 -43.35 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 1.39 110.652 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.23 -40.11 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 2.33 110.948 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 41.4 ttm180 -71.41 -57.76 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 3.22 111.147 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.7 ttp -48.72 -40.79 29.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.24 111.164 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.89 -24.1 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 2.34 110.769 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.46 -29.48 10.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.47 111.248 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.38 -27.65 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 2.71 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.02 47.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.655 -0.783 . . . . 0.64 112.574 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 46' ' ' VAL . 25.3 tptp -67.84 -67.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 2.12 110.52 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -155.39 -89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.36 111.257 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -141.08 138.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.773 0.321 . . . . 1.4 111.204 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -141.3 129.61 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 2.33 110.864 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.5 mp -124.49 117.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 1.42 110.967 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 36.0 t -76.57 122.58 24.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 1.01 111.043 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -126.14 140.63 52.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 2.48 110.664 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -92.1 134.44 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 1.11 111.237 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 109.95 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 2.28 110.91 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -130.33 23.23 5.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 5.43 111.013 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.27 -24.8 5.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 4.91 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -82.39 -68.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 6.69 110.889 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.6 mp -85.92 168.22 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 6.81 111.02 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.9 p -105.25 -26.13 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 7.97 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.69 -41.08 49.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 7.5 112.551 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.62 146.22 49.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 6.87 110.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.9 t -142.01 -60.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 6.43 110.842 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -173.87 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 6.9 110.984 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -149.1 114.07 5.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 5.99 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.7 m -87.96 144.06 34.17 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 5.95 111.073 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.91 -48.25 0.73 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.498 2.132 . . . . 7.21 112.244 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -98.8 -46.87 5.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 7.06 110.651 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.92 80.44 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.98 -0.629 . . . . 5.83 112.673 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -75.16 120.83 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 7.13 110.777 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 59.68 -171.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 4.83 111.013 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.22 136.8 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 2.22 111.255 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.19 99.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 2.18 110.808 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 14.9 ptp180 -144.74 159.15 43.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 2.92 110.856 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -134.69 138.71 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.14 110.771 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -94.05 176.38 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 2.19 110.983 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.426 ' CE3' ' CD ' ' A' ' 18' ' ' GLU . 3.8 t-105 -125.89 117.99 24.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 3.32 110.263 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.666 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 67.5 t90 -98.23 140.76 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 2.88 111.147 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.77 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.39 110.997 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.666 HD11 ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mp -104.2 161.07 14.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.18 111.114 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.166 -0.921 . . . . 4.96 110.87 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.0 mtp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.808 0.337 . . . . 3.77 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.8 173.33 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.46 111.059 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -142.92 -177.16 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.58 110.638 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.2 pp -66.62 -16.28 64.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.58 111.126 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.499 ' N ' HD12 ' A' ' 4' ' ' LEU . 24.7 ttt -52.95 -37.17 60.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.824 0.345 . . . . 2.52 110.67 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.83 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 2.77 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.418 ' CG2' HD23 ' A' ' 11' ' ' LEU . 7.6 p -60.03 -28.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 1.59 110.436 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -56.27 -56.59 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 2.28 110.742 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.1 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 2.19 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.0 mtt -51.4 -58.46 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 1.87 110.696 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.418 HD23 ' CG2' ' A' ' 7' ' ' VAL . 3.6 mm? -62.16 -37.33 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 2.1 110.894 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.19 -25.24 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.09 110.856 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -104.45 -27.85 11.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 1.99 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.4 -72.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 2.19 110.992 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.13 -102.49 0.43 Allowed Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.76 -0.733 . . . . 1.53 112.562 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -97.62 108.33 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 2.73 110.831 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.7 mtt -157.25 171.76 19.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 2.04 111.153 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 75' ' ' TRP . 13.2 pt-20 -119.37 148.55 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 2.7 110.932 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.02 -19.48 60.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.56 111.198 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 60.2 tttm -46.93 -62.09 1.56 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 1.98 111.119 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -62.51 -48.13 80.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 2.17 110.675 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.93 -40.03 56.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 1.76 111.107 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 27' ' ' GLN . 46.0 t -68.96 -45.03 71.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.3 110.961 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.51 90.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.79 111.172 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -54.54 -39.64 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 3.77 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.0 mm? -104.03 -5.33 22.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 1.79 111.552 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' SER . 88.4 mt-30 66.0 104.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 2.31 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' HD2' ' A' ' 29' ' ' PRO . 88.9 m -161.77 139.46 6.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.93 110.81 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 28' ' ' THR . 73.1 Cg_exo -39.86 114.96 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.179 . . . . 0.64 112.476 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.6 tp-100 -63.56 -44.62 81.71 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.29 111.778 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -47.05 -35.21 18.47 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.248 1.965 . . . . 0.71 112.425 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -77.29 -41.04 42.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.407 . . . . 0.6 110.606 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.0 mm -47.82 -45.67 11.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.47 111.149 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.7 t70 -53.19 -39.88 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 1.64 110.384 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -26.21 55.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.39 110.654 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 4' ' ' LEU . 47.4 tpp -61.26 -56.33 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 1.66 110.189 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 76' ' ' TRP . 67.1 mt -68.04 -48.4 65.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.645 . . . . 1.39 110.589 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 9.5 tp10 -51.44 -39.71 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 2.33 110.478 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -67.83 -43.16 80.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.97 -0.559 . . . . 3.22 110.432 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 tpt -52.87 -44.92 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 2.24 110.535 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.46 -23.24 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 2.34 110.877 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.01 -27.15 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.47 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.1 mtt -89.25 -24.51 22.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.71 110.732 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.31 67.07 0.71 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.64 112.529 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.76 -86.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.585 0.231 . . . . 2.12 110.903 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG23 ' N ' ' A' ' 47' ' ' VAL . 10.6 m -120.91 -150.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.36 110.371 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.517 ' N ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -104.36 124.51 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.077 0.465 . . . . 1.4 111.152 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH2' ' OE2' ' A' ' 38' ' ' GLU . 6.6 tmm_? -111.96 138.56 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 2.33 110.769 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.1 mm -122.79 112.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 1.42 111.153 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 84.7 p -74.78 114.67 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 1.01 110.881 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -118.82 146.04 45.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.43 . . . . 2.48 111.158 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -113.26 132.84 55.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.11 110.928 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -152.81 135.58 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 2.28 110.917 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.61 -64.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 5.43 110.933 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.22 -47.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 4.91 112.444 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.94 -58.37 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 6.69 110.752 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -68.54 118.74 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 6.81 110.913 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.6 p -83.77 -28.17 28.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 7.97 110.781 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.85 62.18 0.69 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.793 -0.718 . . . . 7.5 112.377 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 82.6 p -51.23 174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.779 0.323 . . . . 6.87 110.761 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.7 m -153.3 163.9 39.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 6.43 110.829 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -87.59 -29.36 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 6.9 111.027 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.1 m -87.14 104.57 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 5.99 110.729 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.3 m -90.44 137.77 27.27 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 5.95 110.913 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.41 -23.11 10.33 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.5 2.134 . . . . 7.21 112.319 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -144.22 -69.51 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 7.06 110.882 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.14 50.41 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 5.83 112.598 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -117.46 103.77 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 7.13 110.84 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -58.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 4.83 111.025 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.53 18.38 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 2.22 111.594 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.7 131.13 43.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.863 0.363 . . . . 2.18 110.758 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -148.81 125.9 11.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 2.92 111.236 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB3' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -145.74 126.71 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 2.14 110.588 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -93.75 -179.67 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.245 0.545 . . . . 2.19 111.124 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.476 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 2.0 t90 -126.29 124.58 40.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.558 -0.746 . . . . 3.32 109.866 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.471 ' HB2' HD22 ' A' ' 37' ' ' LEU . 1.6 t90 -100.48 120.15 39.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 2.88 111.241 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.74 128.72 21.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.39 110.633 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 78' ' ' LEU . 7.3 mp -61.7 142.82 56.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 1.18 110.958 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HB2' HG13 ' A' ' 47' ' ' VAL . 26.8 tpt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.241 -0.885 . . . . 4.96 111.01 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.875 0.369 . . . . 3.77 110.754 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.93 112.95 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 1.46 111.306 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -91.98 -170.64 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 1.58 110.748 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.3 pp -76.04 -16.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.58 111.432 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.493 ' N ' HD12 ' A' ' 4' ' ' LEU . 81.2 mtp -53.62 -39.66 65.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 2.52 110.793 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.4 -63.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.77 110.715 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 11' ' ' LEU . 35.1 m -61.96 -31.67 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.531 . . . . 1.59 110.333 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 3.8 tmt_? -51.27 -52.49 44.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.581 -0.736 . . . . 2.28 110.814 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.06 -45.86 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 2.19 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -55.0 -48.58 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.87 111.068 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mm? -77.16 -33.22 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 2.1 111.136 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -66.53 -19.0 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 1.09 111.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -108.37 20.15 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.505 -0.316 . . . . 1.99 111.315 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -131.87 -65.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.806 0.336 . . . . 2.19 110.916 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.3 -94.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 1.53 112.607 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.2 mpt_? -94.06 91.81 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 2.73 110.943 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 11.8 mmt -154.81 175.32 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 2.04 111.063 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' OE1' ' HB3' ' A' ' 20' ' ' LYS . 15.7 pt-20 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 2.7 110.803 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.553 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -77.04 -16.54 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.56 111.502 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 57.1 tttm -49.75 -47.04 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 1.98 110.991 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -53.33 -58.07 8.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 2.17 110.96 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 23' ' ' SER . 4.3 pp -72.85 -19.11 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 1.76 111.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.502 ' N ' HD12 ' A' ' 22' ' ' LEU . 47.7 t -70.06 -39.23 75.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 1.3 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.56 -39.97 21.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.938 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.23 -24.31 67.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 3.77 110.87 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.8 -11.3 16.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.238 -0.437 . . . . 1.79 111.451 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 61.18 76.49 0.37 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.935 0.398 . . . . 2.31 110.958 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 23' ' ' SER . 13.6 t -132.55 146.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.93 111.021 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -46.03 118.86 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.374 2.049 . . . . 0.64 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 70.6 mt-30 -69.66 -43.53 21.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 2.29 111.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.59 -26.19 8.82 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.381 2.054 . . . . 0.71 112.748 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -87.2 -44.65 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.52 -0.309 . . . . 0.6 110.983 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.553 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -47.38 -49.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.47 111.281 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CB ' ' HG3' ' A' ' 72' ' ' ARG . 32.2 t70 -50.91 -39.81 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.44 -0.346 . . . . 1.64 110.707 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.26 -26.36 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.39 110.634 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.42 ' HG3' ' HB3' ' A' ' 4' ' ' LEU . 46.2 ttm -62.68 -47.91 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 1.66 110.053 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.2 mm? -70.87 -52.97 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 1.39 109.986 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' ALA . 46.1 mt-10 -51.11 -38.64 53.04 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 120.933 0.397 . . . . 2.33 110.25 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -63.03 -49.4 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 3.22 110.615 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 45' ' ' LYS . 13.9 tpt -61.11 -43.11 99.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 2.24 110.887 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -81.19 -17.29 50.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 2.34 111.359 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -26.59 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.47 111.175 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.1 ptm -81.2 -24.6 37.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 2.71 110.64 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.78 46.6 0.71 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.817 -0.706 . . . . 0.64 112.42 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 30.9 mmmt -61.38 -77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.701 0.286 . . . . 2.12 111.165 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 HG23 ' A' ' 47' ' ' VAL . 92.6 t -150.57 -84.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 1.36 111.613 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.693 HG23 HG12 ' A' ' 46' ' ' VAL . 95.3 t -138.75 152.21 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 1.4 111.441 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -147.78 147.84 30.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.873 -0.603 . . . . 2.33 110.356 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.53 113.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 1.42 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 37.6 t -88.32 128.17 35.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.244 0.545 . . . . 1.01 111.551 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -132.08 138.67 48.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.495 -0.775 . . . . 2.48 110.418 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 t -125.96 147.08 49.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 1.11 111.16 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.5 m -70.77 124.55 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 2.28 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -114.0 -175.4 2.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 5.43 110.816 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.23 -46.19 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.826 -0.702 . . . . 4.91 112.309 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -135.62 -173.1 3.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.757 0.313 . . . . 6.69 110.779 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.1 tp -160.64 100.53 1.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.166 -0.47 . . . . 6.81 110.768 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -100.11 -25.24 14.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 7.97 110.808 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.28 -35.23 0.48 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.815 -0.707 . . . . 7.5 112.401 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -64.54 147.61 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 6.87 110.661 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.7 m -124.96 -68.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 6.43 110.948 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 24.38 9.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 6.9 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.2 m -60.69 118.95 7.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 5.99 110.622 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.17 137.51 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 5.95 111.144 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.15 -45.24 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.518 2.145 . . . . 7.21 112.394 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -159.67 -81.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 7.06 111.229 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.77 -45.37 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.721 -0.752 . . . . 5.83 112.653 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -52.56 149.81 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 7.13 111.096 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.46 -172.3 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 4.83 111.254 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.74 167.4 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 2.22 111.024 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.58 111.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 2.18 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HG3' ' CB ' ' A' ' 34' ' ' ASP . 9.2 ptp180 -139.63 148.49 42.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 2.92 111.085 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.48 136.45 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 2.14 110.427 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 22.2 pt-20 -106.47 169.94 8.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.145 0.498 . . . . 2.19 111.988 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -107.53 133.24 52.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 3.32 110.334 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 11' ' ' LEU . 15.4 t90 -109.59 122.54 47.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.434 -0.348 . . . . 2.88 111.154 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.82 140.97 48.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.39 110.926 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.5 mp -106.18 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.18 111.015 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.275 -0.869 . . . . 4.96 110.891 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.771 0.319 . . . . 3.77 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.65 140.06 45.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.46 110.947 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 t -138.04 -175.71 4.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 1.58 110.995 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp -69.43 -13.57 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.58 111.575 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.532 ' N ' HD12 ' A' ' 4' ' ' LEU . 93.7 mmm -49.37 -46.34 47.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 2.52 111.052 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.45 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 2.77 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.575 HG21 ' SD ' ' A' ' 36' ' ' MET . 85.0 t -56.42 -27.72 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.59 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 5' ' ' MET . 74.2 ttt180 -61.23 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 2.28 110.315 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.73 -41.2 99.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.407 . . . . 2.19 110.135 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.33 -59.54 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 1.87 110.596 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.512 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 3.8 mm? -70.33 -34.36 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 2.1 110.719 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.63 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.09 110.745 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.85 -36.31 18.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 1.99 110.289 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -105.09 107.47 18.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.781 -0.645 . . . . 2.19 110.81 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.27 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 1.53 113.113 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.6 mpt_? -73.73 104.82 4.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.869 0.366 . . . . 2.73 111.574 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.45 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 33.4 mtp -165.21 157.36 15.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.921 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 37.9 mt-10 -108.53 159.19 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 2.7 110.812 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -82.82 -20.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.56 111.42 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.28 -46.56 89.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.786 0.327 . . . . 1.98 110.944 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.15 -55.63 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 2.17 111.183 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD21 HG13 ' A' ' 7' ' ' VAL . 4.3 pp -72.25 -29.05 63.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 1.76 111.212 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' HD12 ' A' ' 22' ' ' LEU . 67.3 m -75.64 -29.05 59.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.916 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.89 35.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.79 111.064 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.88 -12.44 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 3.77 111.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -118.2 9.96 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.504 0.193 . . . . 1.79 111.497 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 52.55 94.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 2.31 110.674 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -148.63 139.98 14.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.93 111.021 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.9 Cg_exo -48.94 116.49 2.21 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.467 2.111 . . . . 0.64 112.304 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 52.6 mt-30 -59.93 -44.98 98.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 2.29 111.522 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 86.4 Cg_exo -45.69 -54.71 4.22 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.268 1.978 . . . . 0.71 112.17 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.8 tm? -53.89 -42.19 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.6 110.717 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 19' ' ' ALA . 37.2 mm -47.66 -48.85 10.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.455 . . . . 0.47 111.302 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.5 t70 -52.56 -42.92 64.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 1.64 110.575 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.98 46.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.39 111.336 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.575 ' SD ' HG21 ' A' ' 7' ' ' VAL . 50.3 ttm -61.42 -52.04 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.007 0.432 . . . . 1.66 110.651 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 74' ' ' GLU . 80.1 mt -74.02 -49.44 24.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.901 -0.591 . . . . 1.39 110.535 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.65 -43.87 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 2.33 110.895 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 78.4 ttt180 -67.77 -48.01 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 3.22 111.051 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -55.36 -47.22 76.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 2.24 110.618 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' ' CB ' ' A' ' 48' ' ' ARG . 5.1 tm-20 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 2.34 110.702 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.53 -24.82 3.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.841 0.353 . . . . 0.47 111.079 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.74 -27.27 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 2.71 110.576 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.55 57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.85 -0.69 . . . . 0.64 112.529 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -68.92 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.631 0.253 . . . . 2.12 110.929 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -153.79 -70.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.557 -0.292 . . . . 1.36 111.247 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.06 129.65 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 1.4 111.094 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 tmm_? -137.47 120.86 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 2.33 110.735 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' TRP . 41.9 mm -116.66 116.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.42 111.174 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 85.8 p -75.46 123.98 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 1.01 110.853 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.57 129.67 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 2.48 111.006 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -111.54 167.4 10.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 1.11 110.998 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.7 t -83.22 119.15 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 2.28 110.834 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.52 -42.31 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 5.43 110.938 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.58 -86.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.838 -0.696 . . . . 4.91 112.561 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.404 ' C ' HD22 ' A' ' 57' ' ' LEU . 74.3 m -136.74 172.12 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 6.69 110.838 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.8 mm? -107.38 20.01 19.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 6.81 111.174 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 t -96.58 -24.69 15.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.857 0.361 . . . . 7.97 110.913 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.03 -99.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 7.5 112.428 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.5 p -137.98 -50.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 6.87 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.9 t -179.85 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 6.43 110.833 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -135.95 -65.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 6.9 110.689 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.8 t 46.08 97.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 5.99 111.454 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.8 t -118.7 133.72 23.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 5.95 110.683 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.59 -50.15 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.293 1.995 . . . . 7.21 112.229 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -142.87 -52.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 7.06 110.841 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.85 48.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 5.83 112.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.17 118.14 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 7.13 111.193 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.27 -179.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 4.83 111.539 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.98 106.93 7.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 2.22 110.992 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 63.8 m -108.27 38.0 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 2.18 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 51.3 mtm180 -52.42 157.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.221 0.534 . . . . 2.92 111.667 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.17 110.11 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.43 -0.804 . . . . 2.14 110.0 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.5 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.69 173.64 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.086 0.469 . . . . 2.19 111.43 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.508 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.9 t90 -124.15 124.94 43.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.557 -0.747 . . . . 3.32 109.986 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.512 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 11.3 t90 -102.17 126.3 49.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 2.88 111.048 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.495 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -141.47 141.0 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.39 111.079 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.0 mp -115.53 101.54 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.18 110.84 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.299 -0.858 . . . . 4.96 110.827 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.837 0.351 . . . . 3.77 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.59 151.96 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 1.46 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m -132.78 -177.81 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 1.58 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.5 pp -80.85 -18.66 46.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.58 111.212 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.473 ' N ' HD12 ' A' ' 4' ' ' LEU . 91.2 mmm -50.94 -44.67 60.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.004 0.431 . . . . 2.52 110.629 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.65 -57.74 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 2.77 110.429 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 22' ' ' LEU . 47.3 t -58.94 -37.64 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 1.59 110.474 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -48.84 -61.31 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 2.28 111.083 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.38 -46.95 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 2.19 110.387 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -51.51 -60.8 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 1.87 110.69 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 76' ' ' TRP . 68.8 mt -57.82 -38.69 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 2.1 110.758 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.68 -28.46 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 1.09 111.061 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.0 mt -104.54 22.08 15.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 1.99 111.254 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.05 -68.45 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 2.19 110.845 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.84 -134.21 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 1.53 112.528 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.483 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -59.84 102.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 2.73 110.845 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' ARG . 76.3 mtp -159.7 163.31 34.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.227 -0.442 . . . . 2.04 111.203 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 35.3 mt-10 -106.1 156.33 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 2.7 110.562 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -81.93 -20.83 37.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.56 111.023 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 73' ' ' GLN . 64.0 pttt -52.23 -31.08 30.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 1.98 110.769 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -64.17 -58.38 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 2.17 111.094 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 23' ' ' SER . 3.8 pp -65.81 -19.57 65.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 1.76 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.66 ' N ' HD12 ' A' ' 22' ' ' LEU . 41.0 t -73.96 -44.87 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 1.3 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.07 56.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.79 111.087 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -67.51 -31.78 72.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 3.77 111.112 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.8 mm? -120.47 12.64 11.64 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.346 -0.388 . . . . 1.79 111.458 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 61.21 104.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 2.31 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' HD2' ' A' ' 29' ' ' PRO . 85.7 m -156.89 138.11 9.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.93 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.1 Cg_exo -48.97 134.33 28.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.125 . . . . 0.64 112.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 16.1 mm-40 -77.28 -44.67 2.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 2.29 111.456 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.35 -41.08 36.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.186 1.924 . . . . 0.71 112.138 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -62.72 -44.37 96.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.6 110.664 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.8 mm -48.1 -43.04 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.47 111.191 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.6 t70 -50.56 -39.07 48.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.071 0.463 . . . . 1.64 110.887 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.21 -26.81 38.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.39 111.246 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.414 ' HE1' ' HB1' ' A' ' 19' ' ' ALA . 43.9 ttp -63.23 -53.89 45.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.66 110.729 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.3 mp -74.2 -41.54 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 1.39 110.46 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.92 -46.87 88.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 2.33 110.667 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 37.5 ttm180 -65.55 -42.64 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 3.22 110.735 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.494 ' HE2' ' CZ2' ' A' ' 76' ' ' TRP . 24.5 ttt -56.33 -47.67 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.24 110.696 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.4 tm-20 -76.31 -21.58 56.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 2.34 110.726 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.23 -25.39 3.61 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.845 0.355 . . . . 0.47 110.849 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 82.7 mtp -84.42 -27.69 27.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 2.71 110.607 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.45 50.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.89 -0.672 . . . . 0.64 112.602 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 74.2 mmtt -68.17 -76.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.626 0.25 . . . . 2.12 110.831 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -151.39 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 1.36 111.156 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.3 145.89 16.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 1.4 111.499 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 8.0 ppt_? -145.88 158.87 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 2.33 110.676 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.2 mp -131.8 113.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.343 . . . . 1.42 111.429 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 80.7 p -77.75 119.13 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 1.01 110.675 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -119.0 132.6 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 2.48 111.05 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -125.98 165.77 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 1.11 110.935 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -175.63 133.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 2.28 110.87 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -102.84 -71.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 5.43 110.963 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.42 43.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 4.91 112.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.7 t -156.91 -64.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 6.69 110.896 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt 51.74 64.66 1.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 6.81 110.748 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.1 p -111.54 -21.9 11.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 7.97 111.038 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.03 -110.41 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.683 -0.77 . . . . 7.5 112.532 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.6 p -116.21 -36.21 4.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 6.87 111.012 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -166.51 -63.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 6.43 111.009 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 63' ' ' SER . 21.7 ptmt -78.73 -46.37 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 6.9 110.938 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 67.1 m 53.49 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 5.99 110.953 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.4 t -136.49 92.09 15.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 5.95 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.93 -56.32 3.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.497 2.132 . . . . 7.21 112.195 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -165.55 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 7.06 110.985 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.03 19.33 3.69 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.774 -0.727 . . . . 5.83 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -55.09 94.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 7.13 110.952 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 49.22 -176.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 4.83 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -179.04 119.9 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 2.22 111.18 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 82.5 m -135.13 117.49 15.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 2.18 110.795 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -141.26 127.47 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 2.92 111.113 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' CB ' ' HB3' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -136.33 133.65 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.14 110.728 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -92.53 176.46 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.088 0.47 . . . . 2.19 110.827 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.481 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.8 t90 -119.84 129.09 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 3.32 109.787 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 40' ' ' MET . 60.6 t-105 -102.42 140.12 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 2.88 111.037 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB1' ' HG3' ' A' ' 16' ' ' ARG . . . -157.99 134.82 9.85 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.115 -0.493 . . . . 0.39 111.191 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.2 mp -105.97 -178.57 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 1.18 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.285 -0.864 . . . . 4.96 110.999 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.855 0.36 . . . . 3.77 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.08 111.69 24.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 1.46 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -81.63 -171.26 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 1.58 110.961 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp -55.88 -19.84 13.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.58 111.352 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.479 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.0 ptt? -56.32 -28.51 59.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 2.52 110.816 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.22 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 2.77 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 36' ' ' MET . 35.5 m -60.71 -33.56 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 1.59 110.548 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 35.9 ttm180 -50.9 -58.31 6.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.634 . . . . 2.28 110.837 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.19 -44.48 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 2.19 111.029 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 mmt -49.14 -47.34 45.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 1.87 111.128 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 17.1 mt -75.51 -33.2 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 2.1 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -36.58 62.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 1.09 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.72 -55.42 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 1.99 111.014 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.2 -66.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 2.19 110.959 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.32 166.01 20.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 1.53 112.599 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.6 mpt_? 56.88 69.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 2.73 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 16' ' ' ARG . 60.3 mtt -160.19 175.15 13.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 2.04 111.124 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.478 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 30.7 mt-10 -115.04 158.2 22.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 2.7 110.649 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -83.27 -17.62 41.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.56 111.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 73' ' ' GLN . 21.1 pttp -58.1 -43.32 87.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 1.98 110.73 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -51.53 -58.39 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 2.17 110.545 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 23' ' ' SER . 4.1 pp -65.29 -19.64 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.76 110.685 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.533 ' N ' HD12 ' A' ' 22' ' ' LEU . 48.3 t -76.45 -30.4 57.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.367 -0.378 . . . . 1.3 110.699 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -38.08 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.79 110.937 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.28 -36.5 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 3.77 110.578 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.5 mm? -105.2 -17.2 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 1.79 111.363 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' SER . 86.3 mt-30 66.11 89.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 2.31 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.406 HG22 ' OG ' ' A' ' 23' ' ' SER . 14.6 t -134.21 146.21 58.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.93 110.8 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 86.0 Cg_exo -40.31 106.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.583 2.189 . . . . 0.64 112.453 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 51.8 mt-30 -53.64 -44.34 97.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 2.29 111.731 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -45.7 -29.29 5.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.163 1.909 . . . . 0.71 112.062 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -78.91 -39.57 34.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.51 . . . . 0.6 110.479 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -50.46 -53.92 10.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.157 -0.474 . . . . 0.47 110.721 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.3 t70 -53.22 -30.96 40.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.948 -0.569 . . . . 1.64 110.11 179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -25.1 37.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.494 -0.776 . . . . 0.39 110.755 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 32' ' ' LEU . 63.2 mtt -64.98 -50.62 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.66 110.497 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 19' ' ' ALA . 5.4 mp -77.33 -44.49 29.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.973 -0.558 . . . . 1.39 110.84 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 42.1 tt0 -55.51 -42.06 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 2.33 110.682 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mmp_? -70.29 -48.59 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 3.22 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.439 ' SD ' ' CE2' ' A' ' 76' ' ' TRP . 37.9 ttm -49.63 -45.45 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.543 . . . . 2.24 110.937 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 4.6 tm-20 -86.35 -19.78 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 2.34 111.027 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.439 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . -50.4 -25.22 3.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.47 111.048 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 ptm -93.3 -26.18 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 2.71 110.671 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.78 60.25 0.37 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.902 -0.666 . . . . 0.64 112.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -76.53 -75.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.524 0.202 . . . . 2.12 110.772 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 78' ' ' LEU . 97.8 t -152.3 -90.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.834 -0.166 . . . . 1.36 111.332 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 77' ' ' ALA . 11.3 p -140.66 136.57 35.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.774 0.321 . . . . 1.4 111.205 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 7.0 ppt_? -135.45 161.97 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.33 111.122 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' TRP . 45.2 mt -143.54 107.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 1.42 111.155 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 79.6 p -76.64 124.41 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 1.01 110.959 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.07 143.01 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 2.48 110.986 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' THR . 4.5 t -123.95 118.21 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 1.11 111.028 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -148.75 147.9 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 2.28 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -166.9 -65.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 5.43 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.35 30.64 8.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 4.91 112.409 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.4 m 59.39 175.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 6.69 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 57' ' ' LEU . 1.5 pt? -173.39 -179.06 1.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 6.81 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 m -77.41 -26.31 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 7.97 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.77 46.64 54.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.587 -0.816 . . . . 7.5 112.411 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -76.82 -28.53 55.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 6.87 110.932 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -157.46 -178.93 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 6.43 110.803 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -68.87 -41.84 77.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 6.9 110.691 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -59.91 178.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 5.99 110.991 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 71.5 m -122.11 156.57 59.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 5.95 110.731 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.74 -24.44 54.69 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.603 2.202 . . . . 7.21 112.316 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.55 -47.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 7.06 111.019 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 -33.93 5.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 5.83 112.671 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -63.44 111.77 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 7.13 110.952 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.34 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 4.83 111.142 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.64 172.09 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 2.22 111.131 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.59 84.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 2.18 111.159 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 85.2 mtm180 -95.26 155.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 2.92 111.14 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 20' ' ' LYS . 10.8 pt20 -147.62 116.09 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 2.14 110.669 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -96.85 179.0 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 2.19 111.049 -179.627 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.478 ' CE3' ' HG3' ' A' ' 18' ' ' GLU . 1.8 t90 -126.51 118.38 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 3.32 110.041 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.685 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 55.5 t90 -99.12 131.0 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 2.88 110.799 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -145.41 146.91 31.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.592 . . . . 0.39 110.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.685 HD11 ' CZ3' ' A' ' 76' ' ' TRP . 2.8 mp -94.53 -175.81 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 1.18 110.722 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.444 ' N ' HG11 ' A' ' 46' ' ' VAL . 76.7 mtp180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.264 -0.874 . . . . 4.96 110.902 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.3 pp . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.521 0.2 . . . . 0.58 111.377 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.489 ' N ' HD12 ' A' ' 4' ' ' LEU . 59.0 mtm -56.88 -27.49 60.61 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.869 0.366 . . . . 2.52 110.76 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 10' ' ' MET . 12.3 mm-40 -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 2.77 110.751 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.446 HG23 ' CE ' ' A' ' 36' ' ' MET . 64.3 t -58.82 -29.97 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.089 0.471 . . . . 1.59 110.421 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -56.42 -54.67 42.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 2.28 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -48.21 76.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 2.19 110.817 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 25.6 mmt -50.69 -48.41 58.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 1.87 110.743 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 7' ' ' VAL . 3.4 mm? -74.69 -25.06 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 2.1 110.903 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.34 65.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.09 111.093 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.1 mt -105.1 -28.34 11.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 1.99 111.133 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.49 -68.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 2.19 111.066 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.72 -116.45 3.11 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.598 -0.81 . . . . 1.53 112.543 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -72.54 101.41 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 2.73 110.905 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 mmt -152.53 169.87 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 2.04 111.073 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 10.5 pt-20 -113.97 144.67 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 2.7 110.783 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -79.81 -29.7 40.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.56 111.274 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB2' ' OE1' ' A' ' 73' ' ' GLN . 22.2 ptmt -55.49 -32.45 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 1.98 110.629 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.01 -49.47 77.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.982 -0.554 . . . . 2.17 110.774 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -64.68 -53.02 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 1.76 110.766 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB3' HD11 ' A' ' 33' ' ' ILE . 85.3 p -53.42 -41.24 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.3 110.979 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.92 87.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.975 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -58.99 -18.07 30.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 3.77 111.265 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.94 8.44 14.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.721 -0.218 . . . . 1.79 111.471 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 60.47 20.55 10.25 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.677 0.275 . . . . 2.31 111.171 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.452 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.4 m -73.91 137.89 76.36 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.446 -0.343 . . . . 0.93 110.996 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 28' ' ' THR . 82.7 Cg_exo -45.29 129.11 10.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.396 2.064 . . . . 0.64 112.188 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 96.5 mt-30 -77.73 -44.6 2.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 2.29 111.467 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 74.3 Cg_exo -50.32 -30.9 27.92 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.136 1.89 . . . . 0.71 112.196 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -72.29 -43.8 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.6 110.627 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 23' ' ' SER . 50.6 mm -48.75 -42.18 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.47 111.113 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' OD2' ' NE ' ' A' ' 72' ' ' ARG . 27.3 t70 -49.74 -41.64 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 1.64 110.504 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.13 -26.53 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.39 110.611 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.446 ' CE ' HG23 ' A' ' 7' ' ' VAL . 25.1 ttt -58.5 -56.5 21.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.885 -0.598 . . . . 1.66 110.243 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -73.28 -45.84 53.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.934 -0.575 . . . . 1.39 110.34 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.49 -45.79 66.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.955 0.407 . . . . 2.33 110.186 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -67.82 -36.99 81.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.592 . . . . 3.22 110.483 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.454 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 42.8 ttm -63.69 -49.76 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.634 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 30.3 tt0 -76.98 -17.54 58.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 2.34 111.091 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.93 -25.82 3.6 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.618 -0.265 . . . . 0.47 111.428 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.0 ptp -86.11 -26.93 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 2.71 110.594 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.34 60.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.64 112.711 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 31.8 mmtm -78.29 -80.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.61 0.243 . . . . 2.12 111.063 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.619 HG12 HG23 ' A' ' 47' ' ' VAL . 51.3 t -153.83 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.743 0.275 . . . . 1.36 111.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG23 HG12 ' A' ' 46' ' ' VAL . 94.2 t -146.96 152.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.039 0.447 . . . . 1.4 111.425 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -147.36 136.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 2.33 110.614 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.27 108.12 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 1.42 111.247 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.8 p -91.19 134.34 34.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 1.01 111.13 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -137.42 145.61 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.538 . . . . 2.48 110.824 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 1.11 111.271 -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' OD2' ' A' ' 34' ' ' ASP . 29.5 ptt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.915 0.388 . . . . 2.92 111.094 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' HB2' ' A' ' 20' ' ' LYS . 16.9 pt20 -150.41 139.07 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 2.14 110.694 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.4 pt-20 -116.3 172.53 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.002 0.429 . . . . 2.19 111.432 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 6.1 m0 -116.83 156.51 27.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.86 -0.609 . . . . 3.32 110.4 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 40' ' ' MET . 60.0 t-105 -108.5 134.93 50.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.499 -0.318 . . . . 2.88 110.75 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -147.81 145.45 28.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.981 0.419 . . . . 0.39 111.643 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.6 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.18 110.737 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.698 0.285 . . . . 0.58 111.247 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.472 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtm -52.54 -36.65 56.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 2.52 110.734 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.85 -63.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 2.77 110.677 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 4' ' ' LEU . 11.0 p -55.11 -32.89 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.209 0.528 . . . . 1.59 110.235 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.34 -49.15 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.532 -0.758 . . . . 2.28 110.857 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.24 -45.75 86.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.5 . . . . 2.19 110.793 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.2 mmt -51.6 -61.07 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 1.87 110.744 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 76' ' ' TRP . 3.5 mm? -62.14 -47.53 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 2.1 110.772 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -24.48 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 1.09 111.199 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.7 mt -106.29 -26.24 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 1.99 111.043 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.63 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 2.19 111.226 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.48 -112.1 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.833 -0.698 . . . . 1.53 112.548 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 4.5 mpt_? -110.36 121.71 45.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.589 0.233 . . . . 2.73 110.64 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 80.9 mtp -159.89 175.35 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 2.04 111.175 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 75' ' ' TRP . 1.1 pm0 -107.73 147.15 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 2.7 110.801 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 37' ' ' LEU . . . -83.55 -22.24 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.56 111.618 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 61.0 pttt -49.96 -40.13 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 1.98 110.914 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 53.4 mt-30 -66.9 -51.22 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 2.17 110.609 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.8 -44.77 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 1.76 110.646 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 79.4 p -60.01 -38.28 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 1.3 110.712 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.79 111.052 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -54.55 -30.98 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 3.77 110.739 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.28 12.71 11.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 1.79 111.315 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 57.04 109.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.824 0.345 . . . . 2.31 110.952 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 29' ' ' PRO . 86.3 m -157.38 138.04 9.22 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.93 110.898 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 28' ' ' THR . 75.5 Cg_exo -48.39 108.48 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.516 2.144 . . . . 0.64 112.42 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 47.6 mt-30 -53.75 -45.11 98.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.29 111.423 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -45.02 -40.64 15.52 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.186 1.924 . . . . 0.71 112.159 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.6 tm? -72.91 -39.92 65.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.928 -0.578 . . . . 0.6 110.68 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 23' ' ' SER . 39.4 mm -48.12 -56.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.47 111.268 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 15.4 t70 -52.56 -47.43 66.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.64 110.674 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.12 -26.57 64.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.39 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.422 ' CG ' ' HB3' ' A' ' 4' ' ' LEU . 52.3 ttp -64.05 -54.78 28.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.052 -0.522 . . . . 1.66 110.068 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 ' HG3' ' A' ' 74' ' ' GLU . 50.8 mt -65.73 -51.9 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.564 -0.744 . . . . 1.39 110.23 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' ALA . 36.9 tt0 -49.7 -43.67 47.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 2.33 110.872 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -63.49 -44.77 93.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 3.22 110.667 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ttt -58.06 -42.22 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 2.24 110.741 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.2 tm-20 -84.65 -23.04 29.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 2.34 110.688 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.64 -25.13 3.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.826 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.22 -24.32 30.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 2.71 110.612 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 116.19 60.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.896 -0.668 . . . . 0.64 112.378 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HG3' HG22 ' A' ' 46' ' ' VAL . 24.6 tptp -85.64 -71.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 2.12 110.813 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -156.04 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.514 -0.312 . . . . 1.36 111.405 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 48' ' ' ARG . 7.1 p -150.02 154.49 8.99 Favored 'Isoleucine or valine' 0 C--O 1.23 0.05 0 CA-C-O 120.861 0.362 . . . . 1.4 111.071 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.44 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.9 ppt_? -149.38 162.56 39.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 2.33 111.433 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -133.98 112.25 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 1.42 110.564 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.6 p -86.6 127.68 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.059 0.457 . . . . 1.01 111.704 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.17 153.68 49.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.685 . . . . 2.48 110.607 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.418 -0.355 . . . . 1.11 111.273 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 28.9 ptt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.972 0.415 . . . . 2.92 111.199 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.03 141.37 25.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 2.14 110.502 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HG3' HD12 ' A' ' 37' ' ' LEU . 11.7 pt-20 -116.4 172.24 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 2.19 111.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 17' ' ' MET . 2.4 t-105 -103.38 139.8 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.924 -0.58 . . . . 3.32 110.733 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 48.0 t90 -112.43 121.67 45.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 2.88 110.571 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 16' ' ' ARG . . . -152.24 164.81 36.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 0.39 111.511 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.1 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 1.18 110.952 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.686 0.279 . . . . 0.58 111.033 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.429 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.3 mmt -56.33 -39.18 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 2.52 111.01 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.94 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 2.77 111.029 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 34.1 m -62.52 -28.33 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.59 110.745 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 5' ' ' MET . 75.5 ttt180 -54.17 -60.28 3.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 2.28 110.851 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.41 -48.67 64.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 2.19 111.209 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 89.6 mmm -45.45 -49.73 13.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 1.87 111.475 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 22' ' ' LEU . 8.5 mp -81.83 -33.06 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.37 . . . . 2.1 111.076 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -53.54 -27.42 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 1.09 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.63 -23.95 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.571 . . . . 1.99 111.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -117.22 -71.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 2.19 111.04 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' HA2' HD13 ' A' ' 78' ' ' LEU . . . 107.07 153.13 19.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 1.53 112.293 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 55.93 86.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 2.73 110.817 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.0 mtp -158.27 175.05 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 2.04 110.662 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 0.8 OUTLIER -120.71 132.87 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 2.7 110.792 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -17.72 63.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.56 111.623 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HE2' ' NE2' ' A' ' 73' ' ' GLN . 14.9 ptmm? -51.51 -43.21 62.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 1.98 110.849 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.04 -52.91 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 2.17 110.857 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 11' ' ' LEU . 79.1 mt -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.969 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -66.06 -31.97 73.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.3 110.624 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -32.9 26.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.79 110.955 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.3 -26.22 62.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 3.77 110.703 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -122.46 12.73 10.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.79 111.285 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 58.75 111.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.878 0.37 . . . . 2.31 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.468 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.3 m -159.19 139.31 8.79 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.93 111.031 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' HG23 ' A' ' 28' ' ' THR . 78.0 Cg_exo -48.81 135.51 28.42 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.571 2.181 . . . . 0.64 112.158 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 67.7 mt-30 -72.5 -43.75 9.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 2.29 111.822 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.5 Cg_exo -58.4 -17.22 32.65 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.117 1.878 . . . . 0.71 112.405 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -87.49 -49.56 7.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.6 111.117 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.96 -47.45 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.47 111.528 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 2.4 p30 -50.0 -36.72 29.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.359 . . . . 1.64 110.841 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.81 -26.72 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.39 110.563 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.75 -57.39 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 1.66 110.102 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -70.18 -47.42 61.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.763 -0.653 . . . . 1.39 109.991 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.1 -42.89 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.067 0.46 . . . . 2.33 109.953 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -60.22 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 3.22 110.081 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.401 ' HE2' HD13 ' A' ' 4' ' ' LEU . 44.4 ttm -61.13 -28.11 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 2.24 110.105 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' A' ' 45' ' ' LYS . 41.9 mm-40 -86.97 -21.73 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.857 -0.61 . . . . 2.34 110.618 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.76 -24.77 3.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.311 -0.404 . . . . 0.47 110.804 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.5 ptm -93.58 -24.61 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 2.71 110.6 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.18 59.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.64 112.452 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 46' ' ' VAL . 49.8 tptt -75.45 -61.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 2.12 110.802 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.41 -93.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 1.36 111.565 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.15 149.92 13.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 1.4 111.118 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -133.88 160.54 37.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 2.33 111.118 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.58 97.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 1.42 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 89.8 p -81.88 117.91 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.01 111.22 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -129.32 153.54 47.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 2.48 111.006 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.11 111.082 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.87 0.366 . . . . 2.92 111.239 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.446 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 11.3 pt20 -142.43 130.33 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 2.14 110.433 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HG3' HD22 ' A' ' 37' ' ' LEU . 12.7 pt-20 -103.36 172.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 2.19 111.621 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.448 ' CG ' ' HB3' ' A' ' 18' ' ' GLU . 5.1 m0 -114.75 145.92 41.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 3.32 110.446 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.62 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 17.2 t90 -101.02 129.47 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.466 -0.334 . . . . 2.88 110.798 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.04 146.2 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.39 111.267 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.0 -0.546 . . . . 1.18 110.834 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 5' ' ' MET . 4.1 pp . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.584 0.231 . . . . 0.58 111.429 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.519 ' N ' HD12 ' A' ' 4' ' ' LEU . 70.0 mtm -56.92 -43.6 81.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 2.52 111.143 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.05 -63.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 2.77 111.201 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 HD22 ' A' ' 11' ' ' LEU . 55.2 t -58.58 -26.61 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.59 110.851 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 72.5 ttt180 -60.83 -58.67 7.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 2.28 110.804 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.56 -51.76 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 2.19 111.516 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -45.2 -48.42 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.394 . . . . 1.87 111.62 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD22 HG12 ' A' ' 7' ' ' VAL . 8.3 mp -81.68 -35.51 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 2.1 111.292 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -55.75 -23.37 29.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.438 -0.346 . . . . 1.09 111.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.21 -23.32 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 1.99 111.099 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -112.5 -66.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 2.19 111.06 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.89 -115.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 1.53 112.522 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.6 mpt_? -53.06 108.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 2.73 110.859 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.405 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 81.1 mtp -159.12 175.08 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.04 110.915 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.3 pt-20 -138.81 144.74 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 2.7 111.056 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -79.85 -18.84 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.56 111.512 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -47.14 -42.11 18.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 1.98 111.464 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.76 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.335 -0.393 . . . . 2.17 111.089 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 23' ' ' SER . 4.2 pp -67.55 -19.4 65.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 1.76 111.488 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.539 ' N ' HD12 ' A' ' 22' ' ' LEU . 97.8 p -71.26 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.66 0.267 . . . . 1.3 110.783 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -23.55 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 0.79 111.153 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' C ' HD22 ' A' ' 26' ' ' LEU . 20.7 tpt180 -56.94 -29.22 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 3.77 111.128 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.1 mm? -119.44 12.6 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.381 . . . . 1.79 111.437 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 63.42 17.67 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.564 0.221 . . . . 2.31 111.195 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 29' ' ' PRO . 63.6 m -65.3 138.84 97.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.705 -0.225 . . . . 0.93 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 28' ' ' THR . 88.7 Cg_exo -46.15 121.24 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.465 2.11 . . . . 0.64 112.361 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 89.7 mt-30 -71.75 -44.03 11.72 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.051 -0.522 . . . . 2.29 111.643 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 58.8 Cg_exo -50.72 -26.06 16.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.176 1.917 . . . . 0.71 112.176 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.8 tm? -83.4 -40.94 18.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.6 110.514 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -47.77 -49.18 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.47 111.244 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 14.6 t70 -56.86 -42.93 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.64 110.82 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 39' ' ' ARG . . . -74.62 -27.43 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.652 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.8 ttp -66.08 -53.1 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 1.66 110.02 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.668 HD12 ' HG3' ' A' ' 74' ' ' GLU . 45.7 mt -62.24 -55.6 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 1.39 110.097 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.9 tt0 -53.83 -38.71 64.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 2.33 110.303 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 18.7 tpp180 -55.03 -52.74 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 3.22 110.589 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' A' ' 45' ' ' LYS . 15.1 tpt -57.28 -45.42 84.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.279 -0.418 . . . . 2.24 110.556 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.0 tm-20 -72.21 -22.45 61.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 2.34 110.775 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.45 -24.84 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.842 0.354 . . . . 0.47 110.863 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.3 mtm -85.53 -26.89 25.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 2.71 110.5 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.67 63.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.817 -0.706 . . . . 0.64 112.885 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HG3' ' HG3' ' A' ' 40' ' ' MET . 28.8 mmmt -88.0 -84.91 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.586 0.232 . . . . 2.12 111.019 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.444 HG12 HG22 ' A' ' 47' ' ' VAL . 85.3 t -143.18 -90.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 1.36 111.278 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 77' ' ' ALA . 19.9 m -154.09 164.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 121.035 0.445 . . . . 1.4 111.548 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 48' ' ' ARG . 7.2 ppt_? -150.5 161.98 41.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 2.33 110.576 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.7 105.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 1.42 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.4 p -89.06 123.3 33.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 1.01 111.433 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.66 155.2 50.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.045 -0.525 . . . . 2.48 110.91 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 1.11 111.06 179.805 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 6.0 ptp180 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.887 0.375 . . . . 2.92 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -143.38 137.29 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.834 -0.621 . . . . 2.14 110.261 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.668 ' HG3' HD12 ' A' ' 37' ' ' LEU . 12.9 pt-20 -114.91 -176.94 3.01 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.657 -0.417 . . . . 2.19 111.695 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 33.0 m0 -117.31 152.85 34.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.838 -0.619 . . . . 3.32 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.673 ' CD1' HD11 ' A' ' 78' ' ' LEU . 72.3 t-105 -111.64 118.91 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 2.88 110.81 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -128.19 133.63 48.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.39 111.216 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 76' ' ' TRP . 4.5 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 1.18 110.937 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.606 0.241 . . . . 0.58 111.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.485 ' N ' HD12 ' A' ' 4' ' ' LEU . 19.0 ptm -48.41 -36.13 14.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.917 0.389 . . . . 2.52 111.076 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.68 -63.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 2.77 110.792 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 4' ' ' LEU . 7.8 p -56.52 -29.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.418 . . . . 1.59 110.593 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -57.99 -56.06 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.88 -0.6 . . . . 2.28 110.68 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.73 -45.88 92.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 2.19 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.6 mmt -50.42 -60.05 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.87 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' CE3' ' A' ' 76' ' ' TRP . 4.3 mm? -63.57 -47.77 80.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 2.1 111.127 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.7 -24.85 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 1.09 111.321 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 mt -111.96 16.53 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 1.99 111.569 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -138.1 -80.01 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.692 0.282 . . . . 2.19 111.074 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' HA3' ' NH1' ' A' ' 16' ' ' ARG . . . 142.45 -82.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.677 -0.773 . . . . 1.53 112.751 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -100.5 106.67 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.676 0.274 . . . . 2.73 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 71.9 mtp -161.5 173.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 2.04 111.018 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 17.0 pt-20 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 2.7 110.598 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -80.94 -12.83 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.56 111.593 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -47.77 -62.43 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.347 . . . . 1.98 111.315 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -56.46 -58.13 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 2.17 110.852 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.8 mt -52.19 -35.36 48.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 1.76 110.706 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.431 ' HB2' HD11 ' A' ' 33' ' ' ILE . 42.7 t -62.24 -50.84 70.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 1.3 110.969 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.79 110.817 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.67 -22.55 64.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 3.77 111.158 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.63 -7.52 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 1.79 111.613 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 65.7 19.5 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.594 0.235 . . . . 2.31 111.205 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' HD2' ' A' ' 29' ' ' PRO . 43.0 m -80.4 138.89 51.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.509 -0.314 . . . . 0.93 110.924 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 28' ' ' THR . 87.3 Cg_exo -46.44 130.85 14.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.451 2.101 . . . . 0.64 112.392 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.2 mp0 -68.49 -46.33 36.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 2.29 111.359 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.4 Cg_exo -45.09 -31.59 5.9 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.22 1.946 . . . . 0.71 112.339 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.9 tm? -72.94 -33.05 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.6 110.475 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 19' ' ' ALA . 48.0 mm -51.32 -53.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.47 110.867 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB2' ' HG3' ' A' ' 72' ' ' ARG . 12.9 t70 -48.8 -38.11 21.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.029 0.442 . . . . 1.64 110.435 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -81.47 -26.0 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.687 -0.688 . . . . 0.39 110.746 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.9 ttm -61.59 -52.05 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 1.66 110.529 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.544 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.6 mm? -77.63 -50.65 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.39 109.932 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.24 -44.03 43.28 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.946 -0.57 . . . . 2.33 110.563 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 28.1 ttm180 -66.52 -54.34 24.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 3.22 110.268 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.452 ' HG2' ' HG3' ' A' ' 45' ' ' LYS . 25.6 ttt -54.25 -37.95 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 2.24 110.373 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.8 tm-20 -84.64 -18.11 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 2.34 110.845 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.22 3.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.425 -0.352 . . . . 0.47 111.101 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.3 ptp -84.28 -27.22 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.71 110.41 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 112.38 54.33 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.826 -0.702 . . . . 0.64 112.659 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 32.5 mmmt -69.48 -72.49 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.694 0.283 . . . . 2.12 110.995 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.05 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 1.36 111.463 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.76 159.64 9.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 1.4 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 4.3 ppt_? -150.17 162.47 40.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 2.33 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.77 105.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 1.42 111.098 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.46 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.2 p -82.6 120.25 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 1.01 111.141 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -126.19 151.26 47.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.83 -0.623 . . . . 2.48 110.943 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 1.11 111.068 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 34' ' ' ASP . 22.1 ptt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.737 0.303 . . . . 2.92 110.755 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -142.12 140.97 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.385 . . . . 2.14 110.945 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -118.62 153.15 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 2.19 111.271 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 9.5 t-105 -91.27 153.79 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.798 -0.637 . . . . 3.32 110.629 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.529 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 59.4 t90 -129.46 124.53 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 2.88 110.992 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.53 169.45 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.39 111.337 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 1.18 110.792 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.547 0.213 . . . . 0.58 111.342 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.54 ' N ' HD12 ' A' ' 4' ' ' LEU . 1.6 mpt? -64.9 -34.31 78.09 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 2.52 110.686 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 2.77 110.508 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.6 -30.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.59 110.254 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -56.81 -44.93 82.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 2.28 110.533 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 2.19 110.461 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mmt -50.83 -53.97 27.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 1.87 110.523 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HG ' ' CG ' ' A' ' 76' ' ' TRP . 3.8 mm? -70.74 -29.27 65.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 2.1 110.995 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -33.77 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.09 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -93.53 -45.88 7.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.99 111.205 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -94.03 -76.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 2.19 111.014 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.82 155.01 23.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 1.53 112.442 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.0 OUTLIER 56.31 89.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.631 0.253 . . . . 2.73 111.12 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.451 ' O ' ' CD1' ' A' ' 75' ' ' TRP . 62.0 mtm -161.95 175.78 11.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 2.04 110.942 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -115.66 152.71 32.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.579 . . . . 2.7 110.581 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -81.9 -14.01 56.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.56 111.453 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HA ' ' HG ' ' A' ' 23' ' ' SER . 62.8 pttt -67.48 -46.12 73.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.744 0.307 . . . . 1.98 110.896 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 17.9 mm-40 -61.31 -55.02 36.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 2.17 110.969 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.56 -39.24 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.76 110.993 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 20' ' ' LYS . 89.5 p -68.3 -39.24 82.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.3 110.805 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.42 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.535 . . . . 0.79 111.142 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -62.42 -26.56 68.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 3.77 110.815 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.3 mt -125.84 14.26 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.79 111.42 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 56.42 105.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 2.31 110.856 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -150.87 138.55 12.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.517 . . . . 0.93 110.779 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 28' ' ' THR . 90.3 Cg_exo -44.09 108.24 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.517 2.145 . . . . 0.64 112.39 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 43.6 mt-30 -58.04 -44.24 99.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 2.29 111.642 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 69.0 Cg_exo -50.47 -26.64 16.8 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.149 1.899 . . . . 0.71 112.228 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -84.66 -41.06 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.6 110.684 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.54 HG23 ' HB1' ' A' ' 19' ' ' ALA . 49.6 mm -47.64 -52.53 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.47 111.402 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 72' ' ' ARG . 8.5 t70 -48.87 -36.68 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 1.64 110.748 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.65 -25.56 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.711 -0.677 . . . . 0.39 110.874 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.465 ' HB3' ' HE2' ' A' ' 36' ' ' MET . 51.8 ttp -63.33 -53.45 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 1.66 110.907 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 19' ' ' ALA . 6.1 mp -74.87 -44.64 47.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 1.39 111.078 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.93 -42.64 90.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 2.33 110.948 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 33.3 ttm180 -70.07 -41.65 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 3.22 110.997 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 15.9 tpt -51.22 -55.44 18.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 2.24 110.776 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.65 -20.71 58.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 2.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -51.2 -25.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.47 110.891 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 79.9 mmm -98.06 -23.34 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 2.71 110.816 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.04 82.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.699 -0.762 . . . . 0.64 112.443 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 52.5 tptt -103.71 -87.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.537 0.208 . . . . 2.12 111.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG12 HG23 ' A' ' 47' ' ' VAL . 99.5 t -157.43 -84.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 116.623 -0.262 . . . . 1.36 111.172 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG23 HG12 ' A' ' 46' ' ' VAL . 97.8 t -145.1 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.871 0.367 . . . . 1.4 111.108 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 3.4 ppt_? -152.95 162.43 41.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 2.33 110.532 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 75' ' ' TRP . 10.0 mt -133.51 107.9 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 1.42 111.166 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.425 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 78.7 p -77.05 110.11 11.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 1.01 110.899 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.44 138.74 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.11 110.94 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 76.3 mtm180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.955 0.407 . . . . 2.92 111.189 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' CD ' ' A' ' 20' ' ' LYS . 6.6 pt20 -151.98 115.58 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 2.14 110.64 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -93.8 -169.81 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 2.19 110.824 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.521 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 4.8 t-105 -126.18 147.07 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.749 -0.659 . . . . 3.32 110.632 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.521 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 3.0 t90 -113.63 111.88 22.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 2.88 110.298 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.82 138.47 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.39 111.355 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.2 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 1.18 110.705 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.6 pp . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.673 0.273 . . . . 0.58 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.453 ' N ' HD12 ' A' ' 4' ' ' LEU . 38.3 tpp -51.62 -46.18 63.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.454 -0.339 . . . . 2.52 110.935 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -58.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 2.77 110.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 22' ' ' LEU . 57.8 t -56.33 -33.51 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 1.59 110.482 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -57.03 -59.15 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.834 -0.621 . . . . 2.28 110.975 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.22 -43.58 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 2.19 110.987 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.3 mtp -49.06 -56.49 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.87 111.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.0 mp -80.27 -35.03 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.39 . . . . 2.1 111.133 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -21.08 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.09 111.548 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.8 27.8 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 1.99 111.229 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -148.71 -58.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 2.19 111.044 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.58 -116.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 1.53 112.482 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.5 mpt_? -71.47 109.28 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 2.73 110.92 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.444 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 85.9 mtp -154.3 156.21 36.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.04 110.811 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' OE1' ' CE2' ' A' ' 75' ' ' TRP . 24.2 mt-10 -105.23 148.75 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.7 110.894 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -80.55 -20.96 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.56 111.12 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 21.8 ptmt -64.86 -26.44 68.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.295 -0.412 . . . . 1.98 111.153 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.85 -58.28 9.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 2.17 110.978 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -69.41 -32.55 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 1.76 111.019 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.507 ' HA ' HG22 ' A' ' 28' ' ' THR . 56.2 p -60.59 -39.27 87.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 1.3 110.684 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.25 28.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.093 -0.503 . . . . 0.79 111.048 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 3.77 110.811 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 22' ' ' LEU . 3.8 mm? -101.18 -15.52 17.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 1.79 111.328 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' SER . 54.9 mt-30 64.42 82.32 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.796 0.331 . . . . 2.31 111.261 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 23' ' ' SER . 14.5 t -139.93 146.03 45.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.93 110.831 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.07 116.56 0.6 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.48 2.12 . . . . 0.64 112.5 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.3 mm-40 -61.59 -43.86 89.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 2.29 111.645 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -53.4 -45.91 37.65 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.136 1.891 . . . . 0.71 112.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.541 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.6 110.643 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.428 HG23 ' HE2' ' A' ' 36' ' ' MET . 49.9 mm -48.23 -44.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.47 110.984 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' CD ' ' A' ' 72' ' ' ARG . 17.5 t70 -50.06 -38.39 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.64 110.875 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.62 -25.38 45.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.39 110.998 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE2' HG23 ' A' ' 33' ' ' ILE . 44.0 ttp -63.14 -57.08 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.66 110.374 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 6.6 mp -70.59 -41.48 72.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.545 . . . . 1.39 110.133 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 37.6 tt0 -53.08 -42.88 66.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.121 -0.49 . . . . 2.33 110.18 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -67.52 -45.86 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 3.22 110.481 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.41 -45.61 80.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 2.24 110.437 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.37 -28.63 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 2.34 110.234 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.19 -25.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 0.47 110.859 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.73 -25.1 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 2.71 110.749 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.58 69.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.64 112.569 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' CZ2' ' A' ' 76' ' ' TRP . 3.1 tppp? -92.0 -76.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.605 0.241 . . . . 2.12 110.908 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 HG13 ' A' ' 47' ' ' VAL . 99.4 t -154.06 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.508 -0.315 . . . . 1.36 111.16 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG13 HG12 ' A' ' 46' ' ' VAL . 34.5 m -142.72 147.34 20.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 1.4 111.449 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 38' ' ' GLU . 21.5 ptt180 -135.4 150.31 49.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 2.33 110.805 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.543 HG21 ' CZ3' ' A' ' 75' ' ' TRP . 34.1 mm -129.05 102.37 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.846 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 78.6 p -90.89 116.99 29.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.966 0.412 . . . . 1.01 111.263 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -124.96 157.32 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.967 -0.561 . . . . 2.48 110.694 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 1.11 111.328 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' CD ' ' OD1' ' A' ' 34' ' ' ASP . 8.6 ptp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.022 0.439 . . . . 2.92 111.204 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 17.4 pt20 -144.11 131.25 20.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 2.14 110.485 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.8 pt-20 -107.35 168.74 9.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.041 0.448 . . . . 2.19 111.78 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.543 ' CZ3' HG21 ' A' ' 49' ' ' ILE . 3.0 m0 -113.96 153.52 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 3.32 109.984 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.616 ' CZ2' HD11 ' A' ' 78' ' ' LEU . 26.1 t90 -121.41 140.15 52.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 2.88 111.534 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -148.23 137.07 21.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.39 111.113 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.5 mp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 1.18 110.698 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.552 HD13 ' SD ' ' A' ' 40' ' ' MET . 4.3 pp . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.533 0.206 . . . . 0.58 111.515 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.504 ' N ' HD12 ' A' ' 4' ' ' LEU . 85.2 mtp -60.15 -40.99 91.81 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.786 0.327 . . . . 2.52 110.97 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.64 -63.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 2.77 110.751 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.0 t -55.96 -40.92 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 116.158 -0.474 . . . . 1.59 110.051 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -47.73 -56.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 2.28 110.893 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.06 -45.89 79.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 2.19 110.239 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 92.8 mmm -52.53 -28.81 22.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.87 110.559 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' A' ' 76' ' ' TRP . 75.4 mt -76.15 -56.13 4.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 2.1 111.108 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -54.13 -23.03 12.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 1.09 111.474 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 2.2 mp -107.46 17.81 22.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 1.99 111.845 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 53.4 mt-30 -158.34 -77.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 2.19 111.363 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 78' ' ' LEU . . . 133.34 -108.84 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 1.53 112.214 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -59.23 123.89 18.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 2.73 110.588 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' TRP . 57.5 mtp -160.43 175.92 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 2.04 111.165 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.9 pt-20 -148.55 141.86 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 2.7 110.855 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -75.42 -23.4 56.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.56 110.987 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -49.43 -60.0 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 1.98 111.218 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -53.85 -53.92 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 2.17 110.992 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.82 -37.04 73.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 1.76 111.065 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.5 m -66.22 -44.29 84.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 1.3 111.186 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.77 -21.79 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.79 111.587 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -84.34 -30.44 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 3.77 111.156 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.6 mm? -108.53 0.48 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.79 111.607 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 64.03 100.92 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.883 0.373 . . . . 2.31 110.835 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.53 HG23 ' HD2' ' A' ' 29' ' ' PRO . 87.8 m -163.22 139.19 5.4 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.155 -0.475 . . . . 0.93 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' HG23 ' A' ' 28' ' ' THR . 89.4 Cg_exo -43.47 138.18 5.3 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.213 . . . . 0.64 112.301 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mp0 -77.17 -44.74 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 2.29 111.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.0 Cg_exo -51.82 -47.62 25.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.15 1.9 . . . . 0.71 112.273 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.0 tm? -53.11 -45.72 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.6 110.716 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 47.3 mm -47.59 -40.43 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.47 111.267 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 74' ' ' GLU . 16.0 t70 -51.34 -38.39 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 1.64 110.801 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.41 -30.86 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.874 -0.603 . . . . 0.39 111.348 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.411 ' HE2' HG23 ' A' ' 33' ' ' ILE . 53.1 ttp -58.29 -51.41 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 1.66 111.242 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 76' ' ' TRP . 4.7 mp -79.4 -46.74 16.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 1.39 111.085 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 12.6 mm-40 -56.93 -41.61 78.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.316 . . . . 2.33 110.904 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 79.0 ttt180 -70.42 -56.23 7.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 3.22 110.617 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.552 ' SD ' HD13 ' A' ' 4' ' ' LEU . 15.1 tpt -52.94 -34.29 54.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 2.24 110.608 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.13 -27.0 24.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 2.34 110.482 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.43 -24.99 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.47 110.936 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.73 -24.82 33.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.336 -0.393 . . . . 2.71 110.585 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 56.54 0.3 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.799 -0.715 . . . . 0.64 112.688 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 76' ' ' TRP . 58.1 tptt -70.2 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.529 0.204 . . . . 2.12 110.843 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG11 ' HA ' ' A' ' 78' ' ' LEU . 75.7 t -157.55 -78.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.629 -0.259 . . . . 1.36 110.999 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 HG12 ' A' ' 46' ' ' VAL . 67.4 t -152.04 135.68 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.4 111.262 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.422 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 5.2 ppt_? -133.31 162.68 31.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 2.33 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' TRP . 69.7 mt -134.87 113.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 1.42 111.135 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -86.46 115.72 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 1.01 110.698 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CB ' ' CZ2' ' A' ' 75' ' ' TRP . 10.0 tp10 -134.67 156.74 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 2.48 111.079 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.11 111.096 179.871 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.899 0.38 . . . . 2.92 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.36 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 2.14 110.95 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -94.81 171.77 8.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 2.19 110.669 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 13.6 m0 -125.02 149.61 47.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 3.32 110.763 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.504 ' CG ' HD11 ' A' ' 11' ' ' LEU . 49.6 m95 -95.82 147.68 23.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 2.88 111.193 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 126.79 3.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.057 -0.52 . . . . 0.39 111.05 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 78' ' ' LEU . 5.0 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.18 110.94 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.633 0.254 . . . . 0.58 111.095 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.448 ' N ' HD12 ' A' ' 4' ' ' LEU . 23.0 ttt -56.88 -40.69 76.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 2.52 110.992 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.28 -64.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 2.77 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.56 -38.13 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 1.59 110.37 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -49.89 -59.27 4.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.661 -0.7 . . . . 2.28 111.04 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 2.19 111.246 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.402 ' HE2' HD11 ' A' ' 22' ' ' LEU . 82.4 mtp -50.71 -55.78 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.87 111.065 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 11' ' ' LEU . 7.6 mp -73.81 -42.89 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 2.1 111.027 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -50.17 -26.82 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.09 111.133 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD12 ' C ' ' A' ' 12' ' ' ALA . 2.6 mp -112.15 20.73 16.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 1.99 111.376 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -136.74 -48.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.498 -0.319 . . . . 2.19 110.953 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.82 -132.72 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 1.53 112.646 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -87.78 139.73 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 2.73 110.972 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.47 175.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 2.04 111.151 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 15.1 pt-20 -133.71 163.16 30.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 2.7 110.801 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -79.85 -22.68 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.56 111.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 55.4 tttp -48.01 -53.16 17.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.37 -0.377 . . . . 1.98 111.016 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -53.96 -51.37 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.17 110.966 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD11 ' HE2' ' A' ' 10' ' ' MET . 87.3 mt -65.69 -28.89 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.76 110.829 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' THR . 44.0 t -78.11 -27.04 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 1.3 110.91 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 -33.78 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.79 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -61.91 -24.68 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 3.77 110.966 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.53 8.36 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 1.79 111.665 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.22 21.73 12.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.703 0.287 . . . . 2.31 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' HD2' ' A' ' 29' ' ' PRO . 90.5 m -66.36 140.16 96.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 0.93 111.005 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HD2' HG23 ' A' ' 28' ' ' THR . 71.1 Cg_exo -48.51 132.77 25.41 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.64 112.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.9 mt-30 -82.89 -44.33 0.89 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 2.29 111.628 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 77.9 Cg_exo -48.13 -39.22 33.71 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.308 2.005 . . . . 0.71 112.418 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.5 tm? -67.8 -44.07 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.6 110.847 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 48.5 mm -48.46 -36.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.47 111.372 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.9 t70 -47.49 -37.53 12.05 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.147 0.499 . . . . 1.64 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.7 -29.47 32.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.734 . . . . 0.39 110.762 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.41 ' HB3' HD22 ' A' ' 37' ' ' LEU . 42.2 tpp -56.64 -49.52 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 1.66 110.386 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -78.84 -46.62 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 1.39 110.568 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.88 -45.18 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 2.33 110.405 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 77.1 ttt180 -66.7 -48.51 69.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.011 -0.541 . . . . 3.22 110.583 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.409 ' HB2' ' HE3' ' A' ' 40' ' ' MET . 41.4 ttm -54.87 -49.39 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 2.24 110.449 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' A' ' 48' ' ' ARG . 18.1 mm-40 -74.99 -17.92 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 2.34 111.198 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.44 -26.62 5.25 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.91 0.386 . . . . 0.47 111.156 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.4 mmt -82.2 -23.7 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 2.71 110.706 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.72 45.24 1.14 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.76 -0.733 . . . . 0.64 112.283 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 75.0 mmtt -52.69 -80.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.695 0.284 . . . . 2.12 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.493 HG12 HG23 ' A' ' 47' ' ' VAL . 21.5 t -156.52 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 1.36 110.984 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG23 HG12 ' A' ' 46' ' ' VAL . 96.1 t -149.78 149.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 1.4 110.83 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -157.93 139.67 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 2.33 110.884 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.6 mm -118.38 127.43 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 1.42 111.283 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 88.3 p -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 1.01 110.857 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.84 144.91 49.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 2.48 111.18 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.11 111.053 179.737 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.895 0.378 . . . . 2.92 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.91 146.1 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 2.14 110.767 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -103.59 178.01 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 2.19 111.153 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CE3' ' OE2' ' A' ' 18' ' ' GLU . 3.0 t-105 -126.35 140.08 52.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 3.32 110.33 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 69.7 t90 -107.07 115.92 31.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 2.88 110.8 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB1' ' HG3' ' A' ' 16' ' ' ARG . . . -144.83 160.45 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.39 111.294 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.0 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 1.18 110.573 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.866 HD13 ' HE2' ' A' ' 40' ' ' MET . 4.0 pp . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.534 0.207 . . . . 0.58 111.552 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.514 ' N ' HD12 ' A' ' 4' ' ' LEU . 47.1 ttm -49.55 -50.56 41.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 2.52 111.231 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' MET . 11.1 tp10 -52.05 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 2.77 110.781 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 4' ' ' LEU . 29.6 m -54.75 -29.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.151 0.501 . . . . 1.59 110.205 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' MET . 38.6 ttt180 -54.25 -56.28 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 2.28 110.292 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.79 -38.96 90.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 2.19 110.641 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 82.2 mmm -49.29 -57.61 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 1.87 110.973 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 17' ' ' MET . 3.6 mm? -62.55 -38.72 91.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 2.1 111.003 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.63 -40.14 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 1.09 111.263 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -50.1 -58.99 4.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 1.99 111.175 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.41 -74.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 2.19 111.035 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 156.14 -37.62 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 1.53 112.658 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 10.3 mpt_? -104.49 103.03 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 2.73 111.29 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.611 ' HB2' HD13 ' A' ' 11' ' ' LEU . 48.1 mtt -155.01 173.75 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 2.04 110.854 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -149.62 156.76 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 2.7 111.08 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' HE1' ' A' ' 36' ' ' MET . . . -83.03 -13.58 55.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.56 111.617 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 85.5 tttt -46.93 -56.02 7.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.678 0.275 . . . . 1.98 111.342 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.58 -52.3 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 2.17 110.812 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.6 mp -58.85 -30.62 67.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.76 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -73.65 -30.39 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.3 110.986 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.37 -27.32 29.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.79 111.186 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -92.32 -20.91 20.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 3.77 111.181 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.56 -16.6 14.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 1.79 111.403 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.61 97.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 2.31 110.671 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.549 HG23 ' HD2' ' A' ' 29' ' ' PRO . 82.0 m -154.21 139.53 12.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.93 111.002 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 28' ' ' THR . 85.4 Cg_exo -39.33 119.51 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.652 2.234 . . . . 0.64 112.542 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 20.9 mp0 -65.74 -43.81 61.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 2.29 111.731 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -52.99 -19.97 12.52 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.146 1.897 . . . . 0.71 112.375 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -87.26 -42.17 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.6 110.286 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 48.9 mm -50.17 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.47 111.38 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 4.1 p30 -48.49 -39.01 21.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.865 0.364 . . . . 1.64 110.921 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.3 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.39 110.719 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.432 ' HE1' ' CB ' ' A' ' 19' ' ' ALA . 55.1 ttp -61.92 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 1.66 110.306 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD12 ' HG3' ' A' ' 74' ' ' GLU . 82.6 mt -64.29 -49.56 71.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.014 -0.539 . . . . 1.39 110.131 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' ALA . 10.1 tp10 -53.48 -37.74 62.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 2.33 110.484 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -61.37 -59.33 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 3.22 111.021 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.866 ' HE2' HD13 ' A' ' 4' ' ' LEU . 42.8 tpp -56.62 -36.29 69.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 2.24 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.71 -20.18 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 2.34 111.157 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -39.14 42.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.47 111.243 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.42 -26.71 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 2.71 110.623 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.42 55.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.756 -0.735 . . . . 0.64 112.805 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 40' ' ' MET . 60.3 mmtt -65.84 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 2.12 111.135 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG12 HG23 ' A' ' 47' ' ' VAL . 99.1 t -153.81 -84.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 1.36 111.207 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.57 HG23 HG12 ' A' ' 46' ' ' VAL . 98.8 t -144.2 139.66 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.825 0.345 . . . . 1.4 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -131.89 162.52 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 2.33 111.021 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.8 mt -145.34 111.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 1.42 110.951 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 29.2 t -93.6 117.9 30.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.01 111.211 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.76 154.31 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 2.48 110.748 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 1.11 111.048 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HG3' ' OD2' ' A' ' 34' ' ' ASP . 10.0 ptp180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.875 0.369 . . . . 2.92 111.099 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -147.99 135.28 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 2.14 110.498 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.52 ' HG3' HD12 ' A' ' 37' ' ' LEU . 13.0 pt-20 -105.85 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.102 0.477 . . . . 2.19 111.888 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 2.1 t-105 -120.14 140.27 51.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 3.32 110.287 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.579 ' O ' HD11 ' A' ' 11' ' ' LEU . 10.3 t90 -110.32 117.77 34.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.938 0.399 . . . . 2.88 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -134.72 138.68 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.39 111.143 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.8 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 1.18 110.657 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.573 0.225 . . . . 0.58 111.324 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.484 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtt -60.7 -29.99 69.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 2.52 110.941 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.92 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 2.77 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 19' ' ' ALA . 97.0 t -57.85 -32.9 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.142 -0.481 . . . . 1.59 110.415 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.01 -61.25 2.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 2.28 110.786 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.29 -51.2 59.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 2.19 110.498 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -58.85 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.87 110.368 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 ' CZ3' ' A' ' 76' ' ' TRP . 21.1 tp -66.01 -58.33 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 2.1 110.603 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.77 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 1.09 110.994 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.55 3.36 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 1.99 111.626 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -151.63 -69.48 0.17 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.815 0.341 . . . . 2.19 110.907 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 99.8 136.75 9.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 1.53 112.421 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.2 mpt_? 55.77 94.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.703 0.287 . . . . 2.73 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.404 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 68.9 mtm -159.64 175.14 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 2.04 110.82 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -123.18 149.09 45.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 2.7 110.741 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.14 -18.72 41.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.56 111.479 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 73' ' ' GLN . 21.3 ptmt -52.81 -43.28 65.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 1.98 111.128 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.22 -57.54 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 2.17 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.24 -29.2 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 1.76 111.041 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.7 t -76.45 -25.94 54.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.807 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.5 -42.75 52.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.79 110.802 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -72.72 -28.74 62.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 3.77 110.86 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -96.86 -16.26 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.79 111.542 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 64.01 93.34 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.821 0.344 . . . . 2.31 111.01 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.462 HG23 ' HD2' ' A' ' 29' ' ' PRO . 40.1 m -151.07 138.91 12.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.93 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 28' ' ' THR . 82.6 Cg_exo -44.49 132.95 9.78 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.425 2.083 . . . . 0.64 112.414 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.1 mp0 -65.86 -46.0 65.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 2.29 111.579 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 88.9 Cg_exo -45.57 -39.89 17.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.257 1.971 . . . . 0.71 112.143 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -68.57 -51.47 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.6 110.678 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.8 mm -47.85 -47.21 12.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.281 -0.418 . . . . 0.47 110.957 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 14.6 t70 -58.36 -39.03 78.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.64 110.393 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -26.32 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.39 110.752 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.06 -60.22 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 1.66 110.142 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 37' ' ' LEU . 6.4 mp -67.31 -45.89 75.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.864 -0.607 . . . . 1.39 109.863 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' ALA . 39.0 tt0 -52.85 -54.02 40.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 2.33 109.952 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -53.86 -39.31 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.65 . . . . 3.22 110.347 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.4 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 16.8 tpt -64.55 -62.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.598 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.77 -17.87 64.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 2.34 110.965 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -24.52 2.97 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.786 0.327 . . . . 0.47 111.236 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.405 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 59.1 mtt -87.64 -25.27 23.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 2.71 110.724 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.51 56.65 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.816 -0.707 . . . . 0.64 112.516 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 3.4 mptp? -71.74 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.618 0.247 . . . . 2.12 111.089 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 78' ' ' LEU . 58.6 t -144.01 -83.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.61 -0.268 . . . . 1.36 111.595 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 77' ' ' ALA . 33.5 m -146.83 142.11 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 CA-C-O 121.053 0.454 . . . . 1.4 111.771 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' HD13 ' A' ' 49' ' ' ILE . 5.9 ppt_? -141.46 159.65 41.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 2.33 110.348 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 48' ' ' ARG . 40.9 mm -132.61 113.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 1.42 111.329 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.454 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.8 p -95.58 119.37 33.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 1.01 111.296 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -133.6 146.58 51.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 2.48 110.553 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 1.11 111.342 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 29.3 ptt180 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.817 0.341 . . . . 2.92 110.8 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 11.0 pt20 -150.43 121.99 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 2.14 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.4 pt-20 -107.09 179.16 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.896 0.379 . . . . 2.19 111.281 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.52 ' CD1' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m0 -126.05 146.27 49.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 3.32 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.478 ' CZ3' HD21 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -102.96 125.78 49.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 2.88 110.611 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 47' ' ' VAL . . . -145.73 165.74 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.153 0.502 . . . . 0.39 111.845 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.9 mp . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 1.18 110.708 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.698 0.285 . . . . 0.58 111.228 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.454 ' N ' HD12 ' A' ' 4' ' ' LEU . 24.9 ptm -54.3 -35.63 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 2.52 111.049 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.27 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.531 . . . . 2.77 110.656 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG22 HD13 ' A' ' 11' ' ' LEU . 13.8 p -61.68 -29.09 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.488 -0.778 . . . . 1.59 110.32 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -53.85 -60.53 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.524 -0.762 . . . . 2.28 110.958 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.3 -45.49 91.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 2.19 111.201 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 94.8 mmm -47.13 -56.81 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 1.87 111.3 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.505 HD13 HG22 ' A' ' 7' ' ' VAL . 8.3 mp -74.59 -25.16 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 2.1 110.856 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -54.28 -39.73 67.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 1.09 110.915 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 12' ' ' ALA . 3.2 mp -107.76 27.53 9.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.542 . . . . 1.99 110.98 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.425 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . 7.4 tp60 -127.86 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.19 110.852 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.73 -125.95 3.14 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.7 -0.762 . . . . 1.53 112.435 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.7 mpt_? -74.88 123.13 24.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.706 0.289 . . . . 2.73 110.761 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 7.4 mtp -170.2 175.55 4.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 2.04 111.188 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 16.3 pt-20 -141.47 141.75 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 2.7 110.705 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -64.06 -20.34 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.56 111.194 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -48.33 -51.68 25.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 1.98 111.132 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -55.22 -56.12 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 2.17 110.741 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.57 -26.49 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 1.76 111.035 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -62.02 -49.11 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 1.3 110.927 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.47 -34.64 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.79 111.124 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -68.22 -26.59 65.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 3.77 111.016 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.83 11.67 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.79 111.382 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 57.1 107.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.895 0.379 . . . . 2.31 110.991 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.503 HG23 ' HD2' ' A' ' 29' ' ' PRO . 85.6 m -162.79 138.06 5.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.93 110.71 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 28' ' ' THR . 6.3 Cg_endo -49.58 143.04 22.57 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.616 2.21 . . . . 0.64 112.243 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.5 mt-30 -77.09 -44.22 2.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 2.29 111.894 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.3 Cg_exo -56.36 -34.59 94.61 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.046 1.831 . . . . 0.71 112.129 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -67.43 -37.8 83.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.6 110.708 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 19' ' ' ALA . 50.1 mm -48.49 -54.65 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.47 111.456 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HB2' ' HG3' ' A' ' 72' ' ' ARG . 13.6 t70 -49.13 -40.03 30.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 1.64 110.85 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.21 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.39 110.82 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.2 ttm -64.7 -54.59 29.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.66 110.64 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 19' ' ' ALA . 2.8 mm? -73.78 -46.97 42.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 1.39 110.437 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ALA . 9.6 tp10 -54.38 -40.11 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 2.33 110.403 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -65.47 -53.68 39.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 3.22 110.672 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.445 ' HE1' ' CE3' ' A' ' 76' ' ' TRP . 53.3 ttp -56.63 -39.52 73.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.574 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 4.6 tm-20 -82.05 -21.49 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 2.34 110.758 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -33.5 20.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.356 -0.384 . . . . 0.47 111.13 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 ptm -73.06 -26.77 61.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 2.71 110.449 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 55.97 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.657 -0.782 . . . . 0.64 112.995 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 72.8 mmtt -71.35 -82.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.726 0.298 . . . . 2.12 110.903 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.3 t -153.39 -83.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 1.36 111.2 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 48' ' ' ARG . 12.4 p -146.29 155.72 12.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 1.4 111.352 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.8 ppt_? -149.95 162.15 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 2.33 110.989 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -140.78 116.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 1.42 111.092 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.5 p -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.01 111.383 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -114.36 147.68 38.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 2.48 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 1.11 110.873 179.832 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' HG3' ' HB2' ' A' ' 34' ' ' ASP . 8.4 ptp180 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.69 0.281 . . . . 2.92 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -147.52 130.49 16.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 2.14 110.572 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 13.0 pt-20 -114.12 170.59 8.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.238 0.542 . . . . 2.19 111.873 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 2.4 t-105 -117.53 142.85 46.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.406 -0.815 . . . . 3.32 110.383 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 29.2 t90 -114.75 132.19 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 2.88 110.847 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.442 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -141.96 149.18 39.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.115 -0.493 . . . . 0.39 111.091 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 1.18 110.629 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.519 0.2 . . . . 0.58 111.203 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.499 ' N ' HD12 ' A' ' 4' ' ' LEU . 74.0 mtp -57.05 -36.06 70.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.965 0.412 . . . . 2.52 110.767 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.87 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 2.77 110.408 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.424 ' O ' HD23 ' A' ' 11' ' ' LEU . 49.1 t -56.84 -36.34 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 1.59 110.443 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 76' ' ' TRP . 73.9 ttt180 -49.24 -57.98 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.692 -0.685 . . . . 2.28 110.893 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 2.19 110.641 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.5 mmt -53.97 -47.0 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.87 110.928 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 15' ' ' GLY . 3.1 mm? -80.4 -27.19 38.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 2.1 110.888 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.69 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 1.09 111.15 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.9 mt -103.96 -55.88 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 1.99 110.961 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -62.59 -64.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 2.19 111.116 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.471 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 138.04 -100.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 1.53 112.52 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.1 mpt_? -101.56 122.72 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.655 0.264 . . . . 2.73 110.786 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 56.5 mtm -160.29 175.38 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 2.04 111.206 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 1.0 OUTLIER -119.54 159.99 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 2.7 110.561 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -82.97 -24.37 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.56 111.405 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 73' ' ' GLN . 22.1 pttp -59.92 -34.07 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 1.98 110.904 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -62.36 -57.54 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 2.17 110.786 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.64 -52.1 62.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 1.76 110.804 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -53.92 -27.39 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.3 110.825 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.72 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.79 111.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' C ' HD22 ' A' ' 26' ' ' LEU . 31.9 mmm180 -84.5 -29.86 25.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 3.77 110.886 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -103.71 -6.47 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.79 111.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.3 113.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.941 0.4 . . . . 2.31 111.035 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.461 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.7 m -163.01 139.44 5.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.93 110.844 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 28' ' ' THR . 78.0 Cg_exo -50.76 112.67 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.64 112.26 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 78.2 mt-30 -55.24 -46.99 99.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 2.29 111.549 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 98.0 Cg_exo -42.73 -37.32 5.69 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.341 2.028 . . . . 0.71 112.303 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.3 tm? -80.28 -34.8 36.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 0.6 110.61 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 30' ' ' GLN . 49.1 mm -49.89 -53.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.47 111.4 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 18.3 t70 -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.36 . . . . 1.64 110.986 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' ARG . . . -71.13 -28.46 64.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.332 -0.395 . . . . 0.39 110.74 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.53 -52.17 54.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.66 109.984 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD12 ' HG3' ' A' ' 74' ' ' GLU . 50.4 mt -68.92 -51.75 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.797 -0.638 . . . . 1.39 109.708 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.5 tt0 -48.65 -39.45 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.669 -0.696 . . . . 2.33 110.914 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' ALA . 2.2 tmt_? -66.37 -54.57 22.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.22 110.519 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -53.51 -39.2 64.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 2.24 110.508 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -85.98 -19.25 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 2.34 110.892 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.42 -24.65 3.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.508 -0.315 . . . . 0.47 110.982 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 76.8 mtp -87.67 -25.85 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 2.71 110.766 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.47 59.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.807 -0.711 . . . . 0.64 112.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HG3' HG22 ' A' ' 46' ' ' VAL . 48.5 tptt -75.13 -70.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 2.12 110.915 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -156.44 -90.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.325 . . . . 1.36 111.571 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 46' ' ' VAL . 22.2 t -144.82 153.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.814 0.34 . . . . 1.4 111.025 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 3.3 ppt_? -150.21 162.25 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 2.33 111.457 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.8 mt -141.34 113.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 1.42 110.747 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.5 p -89.57 133.37 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 1.01 111.692 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.7 146.87 46.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.596 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.11 111.206 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.815 0.34 . . . . 2.92 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 18.8 pt20 -145.91 137.0 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 2.14 110.667 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.601 ' HG3' HD12 ' A' ' 37' ' ' LEU . 12.7 pt-20 -113.7 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 2.19 111.322 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 48.7 m0 -108.81 152.93 24.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 3.32 110.813 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 8' ' ' ARG . 7.4 t90 -123.37 114.06 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 2.88 110.882 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.29 152.84 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.39 111.323 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.3 mp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.996 -0.547 . . . . 1.18 110.714 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.6 pp . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.655 0.264 . . . . 0.58 111.2 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.8 tpp -49.94 -44.19 50.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.366 . . . . 2.52 111.011 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' MET . 45.0 mt-10 -60.39 -63.84 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 2.77 110.907 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' HD13 ' A' ' 11' ' ' LEU . 14.6 p -60.86 -26.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 1.59 110.621 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 72.1 ttt180 -59.71 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 2.28 111.067 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.62 -47.2 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 2.19 111.026 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 84.9 mmm -47.25 -49.83 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 1.87 111.319 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 17' ' ' MET . 9.0 mp -83.16 -38.06 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.363 . . . . 2.1 111.179 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -52.54 -23.32 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.367 . . . . 1.09 111.141 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -96.01 -11.46 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.575 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -107.4 -79.39 0.58 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.793 0.33 . . . . 2.19 111.254 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.56 -134.2 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.9 -0.667 . . . . 1.53 112.314 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.5 mpt_? -58.14 119.71 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 2.73 110.907 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 68.0 mtp -159.41 172.53 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 2.04 110.893 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -126.31 148.97 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.397 . . . . 2.7 110.905 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.554 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -83.1 -18.89 37.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.56 111.612 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 21.0 pttp -58.66 -39.24 80.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.756 0.312 . . . . 1.98 110.749 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.76 -57.69 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 2.17 110.722 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.62 -28.69 69.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 1.76 110.716 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -71.47 -39.93 70.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 1.3 110.855 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.57 87.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.79 111.143 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.62 -25.17 67.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.381 -0.372 . . . . 3.77 110.94 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.4 -4.5 22.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 1.79 111.616 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 67.93 25.94 7.6 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 2.31 111.024 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.401 HG23 ' HD2' ' A' ' 29' ' ' PRO . 87.3 m -77.06 138.41 65.15 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.93 111.14 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 28' ' ' THR . 52.0 Cg_exo -53.67 114.35 1.73 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.492 2.128 . . . . 0.64 112.388 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.2 mt-30 -57.96 -44.98 99.79 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 2.29 111.676 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 78.3 Cg_exo -50.68 -33.96 41.89 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.143 1.896 . . . . 0.71 112.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.6 110.981 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 50.2 mm -48.46 -32.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.47 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.4 t70 -55.82 -36.45 67.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 1.64 110.514 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.69 -27.56 37.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.818 -0.628 . . . . 0.39 111.032 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.16 -56.46 20.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 1.66 110.761 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.9 mp -74.74 -41.9 59.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 1.39 110.688 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.6 tp10 -59.83 -44.64 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 2.33 110.6 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 71.6 ttt180 -68.42 -57.33 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 3.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 tpt -49.83 -39.42 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.978 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -87.18 -21.46 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 2.34 111.249 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 38' ' ' GLU . . . -50.34 -26.01 4.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.778 0.323 . . . . 0.47 111.105 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 68.2 mtm -88.01 -24.27 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.71 110.817 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.78 58.95 0.54 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.743 -0.741 . . . . 0.64 112.376 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HG3' HG22 ' A' ' 46' ' ' VAL . 25.8 tptp -80.92 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 2.12 110.676 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -153.41 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.173 -0.467 . . . . 1.36 111.42 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 48' ' ' ARG . 61.7 t -148.47 156.77 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 1.4 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -150.45 150.36 31.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 2.33 111.028 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.408 HD13 ' O ' ' A' ' 48' ' ' ARG . 26.6 mm -128.06 98.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.42 110.763 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.422 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 80.7 p -72.55 109.33 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 1.01 111.016 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' HG2' ' CZ2' ' A' ' 75' ' ' TRP . 10.5 tp10 -121.92 158.94 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.625 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 1.11 111.371 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.952 0.406 . . . . 2.92 111.065 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.441 ' CG ' ' HB3' ' A' ' 20' ' ' LYS . 3.4 pp0? -140.61 141.83 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 2.14 110.943 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -101.39 171.59 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 2.19 110.505 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CZ2' ' HG2' ' A' ' 51' ' ' GLU . 19.9 m0 -121.99 122.28 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 3.32 110.392 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.467 ' CZ2' ' CG2' ' A' ' 46' ' ' VAL . 53.4 t-105 -76.63 147.58 37.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 2.88 111.127 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.52 137.4 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.39 111.114 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.6 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.18 110.888 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.584 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.52 0.2 . . . . 0.58 111.372 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.551 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.1 mtt -55.72 -46.35 77.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.868 0.366 . . . . 2.52 110.859 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.17 -64.12 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 2.77 111.152 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.587 ' O ' HD23 ' A' ' 11' ' ' LEU . 22.9 m -57.45 -37.73 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 1.59 110.368 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -49.62 -53.66 22.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.701 . . . . 2.28 110.973 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.98 -46.17 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 2.19 110.676 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -52.33 -48.04 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.87 110.497 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.593 HD12 ' CE3' ' A' ' 76' ' ' TRP . 4.1 mm? -61.44 -47.62 84.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 2.1 110.713 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.2 51.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.09 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 mt -99.89 -22.31 15.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 1.99 111.139 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -106.91 -73.22 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.915 0.388 . . . . 2.19 110.949 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.25 137.98 10.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.637 -0.792 . . . . 1.53 112.992 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 16' ' ' ARG . 8.9 mpt_? 61.8 80.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 2.73 111.291 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.52 ' HB2' HD11 ' A' ' 11' ' ' LEU . 60.7 mtt -161.1 175.01 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 2.04 111.218 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' CD ' ' CE3' ' A' ' 75' ' ' TRP . 24.9 mt-10 -124.31 153.79 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 2.7 110.58 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.69 -20.33 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.56 111.355 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -53.8 -46.82 71.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 1.98 110.892 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -67.1 -57.54 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 2.17 110.959 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.76 111.088 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -63.83 -43.89 94.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 1.3 111.074 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.27 98.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.79 111.342 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.98 -24.66 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.373 . . . . 3.77 111.205 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.26 4.29 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.494 -0.321 . . . . 1.79 111.663 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 66.4 99.15 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.751 0.31 . . . . 2.31 111.097 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.507 HG23 ' HD2' ' A' ' 29' ' ' PRO . 67.7 m -163.35 139.07 5.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.93 111.037 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 28' ' ' THR . 79.6 Cg_exo -45.41 114.02 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.483 2.122 . . . . 0.64 112.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 27.4 tt0 -57.93 -44.1 99.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 2.29 111.499 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 50.6 Cg_exo -54.25 -57.28 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.268 1.978 . . . . 0.71 112.241 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -46.66 -32.02 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.953 0.406 . . . . 0.6 111.043 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.528 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 45.8 mm -51.81 -33.02 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.137 -0.483 . . . . 0.47 111.054 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' HB3' ' HG3' ' A' ' 72' ' ' ARG . 2.0 p30 -51.33 -36.13 41.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.129 0.49 . . . . 1.64 110.362 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -81.04 -28.25 35.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.39 110.782 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.417 ' SD ' ' HB1' ' A' ' 19' ' ' ALA . 49.9 ttm -56.87 -54.07 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 1.66 110.452 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 19' ' ' ALA . 8.2 mp -76.89 -43.35 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 1.39 110.652 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.23 -40.11 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 2.33 110.948 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 41.4 ttm180 -71.41 -57.76 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 3.22 111.147 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.7 ttp -48.72 -40.79 29.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.24 111.164 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.89 -24.1 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 2.34 110.769 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.46 -29.48 10.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.47 111.248 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.38 -27.65 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 2.71 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.02 47.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.655 -0.783 . . . . 0.64 112.574 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 46' ' ' VAL . 25.3 tptp -67.84 -67.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 2.12 110.52 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -155.39 -89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.36 111.257 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -141.08 138.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.773 0.321 . . . . 1.4 111.204 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -141.3 129.61 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 2.33 110.864 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.5 mp -124.49 117.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 1.42 110.967 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 36.0 t -76.57 122.58 24.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 1.01 111.043 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -126.14 140.63 52.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 2.48 110.664 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 1.11 111.237 -179.878 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 14.9 ptp180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.812 0.339 . . . . 2.92 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -134.69 138.71 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.14 110.771 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -94.05 176.38 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 2.19 110.983 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.426 ' CE3' ' CD ' ' A' ' 18' ' ' GLU . 3.8 t-105 -125.89 117.99 24.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 3.32 110.263 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.666 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 67.5 t90 -98.23 140.76 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 2.88 111.147 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.77 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.39 110.997 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.666 HD11 ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mp . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.18 111.114 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.2 pp . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.632 0.253 . . . . 0.58 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.499 ' N ' HD12 ' A' ' 4' ' ' LEU . 24.7 ttt -52.95 -37.17 60.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.824 0.345 . . . . 2.52 110.67 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.83 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 2.77 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.418 ' CG2' HD23 ' A' ' 11' ' ' LEU . 7.6 p -60.03 -28.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 1.59 110.436 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -56.27 -56.59 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 2.28 110.742 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.1 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 2.19 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.0 mtt -51.4 -58.46 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 1.87 110.696 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.418 HD23 ' CG2' ' A' ' 7' ' ' VAL . 3.6 mm? -62.16 -37.33 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 2.1 110.894 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.19 -25.24 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.09 110.856 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -104.45 -27.85 11.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 1.99 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.4 -72.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 2.19 110.992 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.13 -102.49 0.43 Allowed Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.76 -0.733 . . . . 1.53 112.562 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -97.62 108.33 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 2.73 110.831 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.7 mtt -157.25 171.76 19.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 2.04 111.153 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 75' ' ' TRP . 13.2 pt-20 -119.37 148.55 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 2.7 110.932 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.02 -19.48 60.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.56 111.198 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 60.2 tttm -46.93 -62.09 1.56 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 1.98 111.119 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -62.51 -48.13 80.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 2.17 110.675 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.93 -40.03 56.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 1.76 111.107 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 27' ' ' GLN . 46.0 t -68.96 -45.03 71.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.3 110.961 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.51 90.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.79 111.172 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -54.54 -39.64 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 3.77 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.0 mm? -104.03 -5.33 22.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 1.79 111.552 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' SER . 88.4 mt-30 66.0 104.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 2.31 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' HD2' ' A' ' 29' ' ' PRO . 88.9 m -161.77 139.46 6.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.93 110.81 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 28' ' ' THR . 73.1 Cg_exo -39.86 114.96 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.179 . . . . 0.64 112.476 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.6 tp-100 -63.56 -44.62 81.71 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.29 111.778 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -47.05 -35.21 18.47 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.248 1.965 . . . . 0.71 112.425 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -77.29 -41.04 42.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.407 . . . . 0.6 110.606 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.0 mm -47.82 -45.67 11.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.47 111.149 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.7 t70 -53.19 -39.88 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 1.64 110.384 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -26.21 55.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.39 110.654 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 4' ' ' LEU . 47.4 tpp -61.26 -56.33 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 1.66 110.189 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 76' ' ' TRP . 67.1 mt -68.04 -48.4 65.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.645 . . . . 1.39 110.589 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 9.5 tp10 -51.44 -39.71 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 2.33 110.478 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -67.83 -43.16 80.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.97 -0.559 . . . . 3.22 110.432 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 tpt -52.87 -44.92 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 2.24 110.535 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.46 -23.24 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 2.34 110.877 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.01 -27.15 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.47 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.1 mtt -89.25 -24.51 22.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.71 110.732 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.31 67.07 0.71 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.64 112.529 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.76 -86.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.585 0.231 . . . . 2.12 110.903 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG23 ' N ' ' A' ' 47' ' ' VAL . 10.6 m -120.91 -150.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.36 110.371 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.517 ' N ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -104.36 124.51 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.077 0.465 . . . . 1.4 111.152 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH2' ' OE2' ' A' ' 38' ' ' GLU . 6.6 tmm_? -111.96 138.56 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 2.33 110.769 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.1 mm -122.79 112.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 1.42 111.153 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 84.7 p -74.78 114.67 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 1.01 110.881 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -118.82 146.04 45.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.43 . . . . 2.48 111.158 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.11 110.928 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.847 0.356 . . . . 2.92 111.236 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB3' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -145.74 126.71 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 2.14 110.588 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -93.75 -179.67 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.245 0.545 . . . . 2.19 111.124 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.476 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 2.0 t90 -126.29 124.58 40.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.558 -0.746 . . . . 3.32 109.866 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.471 ' HB2' HD22 ' A' ' 37' ' ' LEU . 1.6 t90 -100.48 120.15 39.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 2.88 111.241 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.74 128.72 21.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.39 110.633 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 78' ' ' LEU . 7.3 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 1.18 110.958 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.518 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.3 pp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.452 0.168 . . . . 0.58 111.432 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.493 ' N ' HD12 ' A' ' 4' ' ' LEU . 81.2 mtp -53.62 -39.66 65.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 2.52 110.793 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.4 -63.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.77 110.715 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 11' ' ' LEU . 35.1 m -61.96 -31.67 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.531 . . . . 1.59 110.333 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 3.8 tmt_? -51.27 -52.49 44.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.581 -0.736 . . . . 2.28 110.814 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.06 -45.86 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 2.19 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -55.0 -48.58 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.87 111.068 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mm? -77.16 -33.22 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 2.1 111.136 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -66.53 -19.0 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 1.09 111.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -108.37 20.15 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.505 -0.316 . . . . 1.99 111.315 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -131.87 -65.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.806 0.336 . . . . 2.19 110.916 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.3 -94.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 1.53 112.607 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.2 mpt_? -94.06 91.81 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 2.73 110.943 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 11.8 mmt -154.81 175.32 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 2.04 111.063 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' OE1' ' HB3' ' A' ' 20' ' ' LYS . 15.7 pt-20 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 2.7 110.803 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.553 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -77.04 -16.54 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.56 111.502 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 57.1 tttm -49.75 -47.04 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 1.98 110.991 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -53.33 -58.07 8.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 2.17 110.96 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 23' ' ' SER . 4.3 pp -72.85 -19.11 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 1.76 111.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.502 ' N ' HD12 ' A' ' 22' ' ' LEU . 47.7 t -70.06 -39.23 75.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 1.3 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.56 -39.97 21.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.938 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.23 -24.31 67.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 3.77 110.87 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.8 -11.3 16.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.238 -0.437 . . . . 1.79 111.451 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 61.18 76.49 0.37 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.935 0.398 . . . . 2.31 110.958 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 23' ' ' SER . 13.6 t -132.55 146.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.93 111.021 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -46.03 118.86 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.374 2.049 . . . . 0.64 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 70.6 mt-30 -69.66 -43.53 21.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 2.29 111.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.59 -26.19 8.82 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.381 2.054 . . . . 0.71 112.748 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -87.2 -44.65 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.52 -0.309 . . . . 0.6 110.983 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.553 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -47.38 -49.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.47 111.281 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CB ' ' HG3' ' A' ' 72' ' ' ARG . 32.2 t70 -50.91 -39.81 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.44 -0.346 . . . . 1.64 110.707 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.26 -26.36 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.39 110.634 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.42 ' HG3' ' HB3' ' A' ' 4' ' ' LEU . 46.2 ttm -62.68 -47.91 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 1.66 110.053 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.2 mm? -70.87 -52.97 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 1.39 109.986 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' ALA . 46.1 mt-10 -51.11 -38.64 53.04 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 120.933 0.397 . . . . 2.33 110.25 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -63.03 -49.4 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 3.22 110.615 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 45' ' ' LYS . 13.9 tpt -61.11 -43.11 99.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 2.24 110.887 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -81.19 -17.29 50.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 2.34 111.359 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -26.59 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.47 111.175 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.1 ptm -81.2 -24.6 37.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 2.71 110.64 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.78 46.6 0.71 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.817 -0.706 . . . . 0.64 112.42 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 30.9 mmmt -61.38 -77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.701 0.286 . . . . 2.12 111.165 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 HG23 ' A' ' 47' ' ' VAL . 92.6 t -150.57 -84.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 1.36 111.613 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.693 HG23 HG12 ' A' ' 46' ' ' VAL . 95.3 t -138.75 152.21 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 1.4 111.441 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -147.78 147.84 30.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.873 -0.603 . . . . 2.33 110.356 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.53 113.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 1.42 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 37.6 t -88.32 128.17 35.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.244 0.545 . . . . 1.01 111.551 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -132.08 138.67 48.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.495 -0.775 . . . . 2.48 110.418 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 1.11 111.16 -179.717 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HG3' ' CB ' ' A' ' 34' ' ' ASP . 9.2 ptp180 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.936 0.398 . . . . 2.92 111.085 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.48 136.45 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 2.14 110.427 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 22.2 pt-20 -106.47 169.94 8.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.145 0.498 . . . . 2.19 111.988 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -107.53 133.24 52.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 3.32 110.334 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 11' ' ' LEU . 15.4 t90 -109.59 122.54 47.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.434 -0.348 . . . . 2.88 111.154 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.82 140.97 48.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.39 110.926 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.5 mp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.18 111.015 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.575 0.213 . . . . 0.58 111.575 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.532 ' N ' HD12 ' A' ' 4' ' ' LEU . 93.7 mmm -49.37 -46.34 47.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 2.52 111.052 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.45 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 2.77 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.575 HG21 ' SD ' ' A' ' 36' ' ' MET . 85.0 t -56.42 -27.72 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.59 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 5' ' ' MET . 74.2 ttt180 -61.23 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 2.28 110.315 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.73 -41.2 99.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.407 . . . . 2.19 110.135 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.33 -59.54 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 1.87 110.596 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.512 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 3.8 mm? -70.33 -34.36 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 2.1 110.719 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.63 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.09 110.745 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.85 -36.31 18.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 1.99 110.289 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -105.09 107.47 18.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.781 -0.645 . . . . 2.19 110.81 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.27 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 1.53 113.113 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.6 mpt_? -73.73 104.82 4.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.869 0.366 . . . . 2.73 111.574 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.45 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 33.4 mtp -165.21 157.36 15.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.921 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 37.9 mt-10 -108.53 159.19 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 2.7 110.812 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -82.82 -20.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.56 111.42 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.28 -46.56 89.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.786 0.327 . . . . 1.98 110.944 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.15 -55.63 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 2.17 111.183 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD21 HG13 ' A' ' 7' ' ' VAL . 4.3 pp -72.25 -29.05 63.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 1.76 111.212 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' HD12 ' A' ' 22' ' ' LEU . 67.3 m -75.64 -29.05 59.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.916 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.89 35.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.79 111.064 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.88 -12.44 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 3.77 111.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -118.2 9.96 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.504 0.193 . . . . 1.79 111.497 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 52.55 94.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 2.31 110.674 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -148.63 139.98 14.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.93 111.021 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.9 Cg_exo -48.94 116.49 2.21 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.467 2.111 . . . . 0.64 112.304 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 52.6 mt-30 -59.93 -44.98 98.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 2.29 111.522 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 86.4 Cg_exo -45.69 -54.71 4.22 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.268 1.978 . . . . 0.71 112.17 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.8 tm? -53.89 -42.19 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.6 110.717 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 19' ' ' ALA . 37.2 mm -47.66 -48.85 10.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.455 . . . . 0.47 111.302 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.5 t70 -52.56 -42.92 64.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 1.64 110.575 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.98 46.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.39 111.336 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.575 ' SD ' HG21 ' A' ' 7' ' ' VAL . 50.3 ttm -61.42 -52.04 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.007 0.432 . . . . 1.66 110.651 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 74' ' ' GLU . 80.1 mt -74.02 -49.44 24.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.901 -0.591 . . . . 1.39 110.535 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.65 -43.87 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 2.33 110.895 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 78.4 ttt180 -67.77 -48.01 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 3.22 111.051 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -55.36 -47.22 76.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 2.24 110.618 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' ' CB ' ' A' ' 48' ' ' ARG . 5.1 tm-20 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 2.34 110.702 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.53 -24.82 3.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.841 0.353 . . . . 0.47 111.079 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.74 -27.27 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 2.71 110.576 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.55 57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.85 -0.69 . . . . 0.64 112.529 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -68.92 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.631 0.253 . . . . 2.12 110.929 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -153.79 -70.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.557 -0.292 . . . . 1.36 111.247 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.06 129.65 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 1.4 111.094 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 tmm_? -137.47 120.86 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 2.33 110.735 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' TRP . 41.9 mm -116.66 116.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.42 111.174 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 85.8 p -75.46 123.98 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 1.01 110.853 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.57 129.67 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 2.48 111.006 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 1.11 110.998 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 51.3 mtm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.221 0.534 . . . . 2.92 111.667 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.17 110.11 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.43 -0.804 . . . . 2.14 110.0 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.5 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.69 173.64 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.086 0.469 . . . . 2.19 111.43 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.508 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.9 t90 -124.15 124.94 43.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.557 -0.747 . . . . 3.32 109.986 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.512 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 11.3 t90 -102.17 126.3 49.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 2.88 111.048 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.495 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -141.47 141.0 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.39 111.079 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.0 mp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.18 110.84 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.611 0.243 . . . . 0.58 111.212 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.473 ' N ' HD12 ' A' ' 4' ' ' LEU . 91.2 mmm -50.94 -44.67 60.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.004 0.431 . . . . 2.52 110.629 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.65 -57.74 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 2.77 110.429 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 22' ' ' LEU . 47.3 t -58.94 -37.64 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 1.59 110.474 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -48.84 -61.31 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 2.28 111.083 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.38 -46.95 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 2.19 110.387 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -51.51 -60.8 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 1.87 110.69 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 76' ' ' TRP . 68.8 mt -57.82 -38.69 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 2.1 110.758 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.68 -28.46 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 1.09 111.061 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.0 mt -104.54 22.08 15.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 1.99 111.254 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.05 -68.45 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 2.19 110.845 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.84 -134.21 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 1.53 112.528 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.483 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -59.84 102.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 2.73 110.845 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' ARG . 76.3 mtp -159.7 163.31 34.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.227 -0.442 . . . . 2.04 111.203 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 35.3 mt-10 -106.1 156.33 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 2.7 110.562 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -81.93 -20.83 37.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.56 111.023 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 73' ' ' GLN . 64.0 pttt -52.23 -31.08 30.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 1.98 110.769 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -64.17 -58.38 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 2.17 111.094 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 23' ' ' SER . 3.8 pp -65.81 -19.57 65.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 1.76 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.66 ' N ' HD12 ' A' ' 22' ' ' LEU . 41.0 t -73.96 -44.87 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 1.3 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.07 56.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.79 111.087 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -67.51 -31.78 72.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 3.77 111.112 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.8 mm? -120.47 12.64 11.64 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.346 -0.388 . . . . 1.79 111.458 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 61.21 104.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 2.31 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' HD2' ' A' ' 29' ' ' PRO . 85.7 m -156.89 138.11 9.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.93 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.1 Cg_exo -48.97 134.33 28.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.125 . . . . 0.64 112.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 16.1 mm-40 -77.28 -44.67 2.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 2.29 111.456 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.35 -41.08 36.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.186 1.924 . . . . 0.71 112.138 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -62.72 -44.37 96.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.6 110.664 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.8 mm -48.1 -43.04 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.47 111.191 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.6 t70 -50.56 -39.07 48.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.071 0.463 . . . . 1.64 110.887 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.21 -26.81 38.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.39 111.246 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.414 ' HE1' ' HB1' ' A' ' 19' ' ' ALA . 43.9 ttp -63.23 -53.89 45.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.66 110.729 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.3 mp -74.2 -41.54 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 1.39 110.46 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.92 -46.87 88.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 2.33 110.667 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 37.5 ttm180 -65.55 -42.64 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 3.22 110.735 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.494 ' HE2' ' CZ2' ' A' ' 76' ' ' TRP . 24.5 ttt -56.33 -47.67 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.24 110.696 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.4 tm-20 -76.31 -21.58 56.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 2.34 110.726 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.23 -25.39 3.61 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.845 0.355 . . . . 0.47 110.849 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 82.7 mtp -84.42 -27.69 27.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 2.71 110.607 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.45 50.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.89 -0.672 . . . . 0.64 112.602 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 74.2 mmtt -68.17 -76.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.626 0.25 . . . . 2.12 110.831 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -151.39 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 1.36 111.156 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.3 145.89 16.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 1.4 111.499 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 8.0 ppt_? -145.88 158.87 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 2.33 110.676 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.2 mp -131.8 113.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.343 . . . . 1.42 111.429 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 80.7 p -77.75 119.13 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 1.01 110.675 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -119.0 132.6 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 2.48 111.05 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 1.11 110.935 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.819 0.343 . . . . 2.92 111.113 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' CB ' ' HB3' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -136.33 133.65 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.14 110.728 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -92.53 176.46 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.088 0.47 . . . . 2.19 110.827 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.481 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.8 t90 -119.84 129.09 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 3.32 109.787 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 40' ' ' MET . 60.6 t-105 -102.42 140.12 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 2.88 111.037 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB1' ' HG3' ' A' ' 16' ' ' ARG . . . -157.99 134.82 9.85 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.115 -0.493 . . . . 0.39 111.191 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.2 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 1.18 110.888 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.665 0.269 . . . . 0.58 111.352 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.479 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.0 ptt? -56.32 -28.51 59.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 2.52 110.816 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.22 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 2.77 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 36' ' ' MET . 35.5 m -60.71 -33.56 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 1.59 110.548 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 35.9 ttm180 -50.9 -58.31 6.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.634 . . . . 2.28 110.837 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.19 -44.48 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 2.19 111.029 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 mmt -49.14 -47.34 45.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 1.87 111.128 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 17.1 mt -75.51 -33.2 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 2.1 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -36.58 62.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 1.09 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.72 -55.42 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 1.99 111.014 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.2 -66.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 2.19 110.959 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.32 166.01 20.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 1.53 112.599 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.6 mpt_? 56.88 69.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 2.73 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 16' ' ' ARG . 60.3 mtt -160.19 175.15 13.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 2.04 111.124 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.478 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 30.7 mt-10 -115.04 158.2 22.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 2.7 110.649 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -83.27 -17.62 41.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.56 111.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 73' ' ' GLN . 21.1 pttp -58.1 -43.32 87.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 1.98 110.73 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -51.53 -58.39 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 2.17 110.545 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 23' ' ' SER . 4.1 pp -65.29 -19.64 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.76 110.685 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.533 ' N ' HD12 ' A' ' 22' ' ' LEU . 48.3 t -76.45 -30.4 57.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.367 -0.378 . . . . 1.3 110.699 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -38.08 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.79 110.937 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.28 -36.5 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 3.77 110.578 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.5 mm? -105.2 -17.2 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 1.79 111.363 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' SER . 24.8 mt-30 66.11 89.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 2.31 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.406 HG22 ' OG ' ' A' ' 23' ' ' SER . 14.6 t -134.21 146.21 58.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.93 110.8 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 86.0 Cg_exo -40.31 106.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.583 2.189 . . . . 0.64 112.453 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 51.8 mt-30 -53.64 -44.34 97.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 2.29 111.731 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -45.7 -29.29 5.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.163 1.909 . . . . 0.71 112.062 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -78.91 -39.57 34.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.51 . . . . 0.6 110.479 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -50.46 -53.92 10.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.157 -0.474 . . . . 0.47 110.721 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.3 t70 -53.22 -30.96 40.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.948 -0.569 . . . . 1.64 110.11 179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -25.1 37.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.494 -0.776 . . . . 0.39 110.755 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 32' ' ' LEU . 63.2 mtt -64.98 -50.62 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.66 110.497 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 19' ' ' ALA . 5.4 mp -77.33 -44.49 29.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.973 -0.558 . . . . 1.39 110.84 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 42.1 tt0 -55.51 -42.06 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 2.33 110.682 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mmp_? -70.29 -48.59 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 3.22 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.439 ' SD ' ' CE2' ' A' ' 76' ' ' TRP . 37.9 ttm -49.63 -45.45 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.543 . . . . 2.24 110.937 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 4.6 tm-20 -86.35 -19.78 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 2.34 111.027 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.439 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . -50.4 -25.22 3.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.47 111.048 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 ptm -93.3 -26.18 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 2.71 110.671 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.78 60.25 0.37 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.902 -0.666 . . . . 0.64 112.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -76.53 -75.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.524 0.202 . . . . 2.12 110.772 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 78' ' ' LEU . 97.8 t -152.3 -90.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.834 -0.166 . . . . 1.36 111.332 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 77' ' ' ALA . 11.3 p -140.66 136.57 35.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.774 0.321 . . . . 1.4 111.205 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 7.0 ppt_? -135.45 161.97 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.33 111.122 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' TRP . 45.2 mt -143.54 107.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 1.42 111.155 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 79.6 p -76.64 124.41 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 1.01 110.959 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.07 143.01 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 2.48 110.986 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' THR . 4.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 1.11 111.028 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 85.2 mtm180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 2.92 111.14 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 20' ' ' LYS . 10.8 pt20 -147.62 116.09 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 2.14 110.669 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -96.85 179.0 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 2.19 111.049 -179.627 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.478 ' CE3' ' HG3' ' A' ' 18' ' ' GLU . 1.8 t90 -126.51 118.38 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 3.32 110.041 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.685 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 55.5 t90 -99.12 131.0 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 2.88 110.799 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -145.41 146.91 31.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.592 . . . . 0.39 110.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.685 HD11 ' CZ3' ' A' ' 76' ' ' TRP . 2.8 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 1.18 110.722 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mmm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.664 0.269 . . . . 3.77 110.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.25 110.19 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 1.46 111.169 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -93.4 170.7 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 1.58 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.3 pp -65.8 -15.85 63.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.58 111.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.489 ' N ' HD12 ' A' ' 4' ' ' LEU . 59.0 mtm -56.88 -27.49 60.61 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.869 0.366 . . . . 2.52 110.76 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 10' ' ' MET . 12.3 mm-40 -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 2.77 110.751 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.446 HG23 ' CE ' ' A' ' 36' ' ' MET . 64.3 t -58.82 -29.97 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.089 0.471 . . . . 1.59 110.421 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -56.42 -54.67 42.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 2.28 110.667 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -48.21 76.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 2.19 110.817 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 25.6 mmt -50.69 -48.41 58.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 1.87 110.743 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 7' ' ' VAL . 3.4 mm? -74.69 -25.06 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 2.1 110.903 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.34 65.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.09 111.093 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.1 mt -105.1 -28.34 11.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 1.99 111.133 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.49 -68.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 2.19 111.066 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.72 -116.45 3.11 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.598 -0.81 . . . . 1.53 112.543 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -72.54 101.41 2.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 2.73 110.905 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 mmt -152.53 169.87 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 2.04 111.073 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 10.5 pt-20 -113.97 144.67 42.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 2.7 110.783 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -79.81 -29.7 40.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.56 111.274 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB2' ' OE1' ' A' ' 73' ' ' GLN . 22.2 ptmt -55.49 -32.45 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 1.98 110.629 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.01 -49.47 77.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.982 -0.554 . . . . 2.17 110.774 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -64.68 -53.02 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 1.76 110.766 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB3' HD11 ' A' ' 33' ' ' ILE . 85.3 p -53.42 -41.24 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.3 110.979 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.92 87.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.975 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -58.99 -18.07 30.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 3.77 111.265 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.94 8.44 14.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.721 -0.218 . . . . 1.79 111.471 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 60.47 20.55 10.25 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.677 0.275 . . . . 2.31 111.171 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.452 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.4 m -73.91 137.89 76.36 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.446 -0.343 . . . . 0.93 110.996 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 28' ' ' THR . 82.7 Cg_exo -45.29 129.11 10.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.396 2.064 . . . . 0.64 112.188 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 96.5 mt-30 -77.73 -44.6 2.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 2.29 111.467 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 74.3 Cg_exo -50.32 -30.9 27.92 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.136 1.89 . . . . 0.71 112.196 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -72.29 -43.8 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.6 110.627 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 23' ' ' SER . 50.6 mm -48.75 -42.18 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.47 111.113 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' OD2' ' NE ' ' A' ' 72' ' ' ARG . 27.3 t70 -49.74 -41.64 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 1.64 110.504 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.13 -26.53 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.933 -0.576 . . . . 0.39 110.611 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.446 ' CE ' HG23 ' A' ' 7' ' ' VAL . 25.1 ttt -58.5 -56.5 21.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.885 -0.598 . . . . 1.66 110.243 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -73.28 -45.84 53.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.934 -0.575 . . . . 1.39 110.34 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.49 -45.79 66.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.955 0.407 . . . . 2.33 110.186 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -67.82 -36.99 81.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.592 . . . . 3.22 110.483 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.454 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 42.8 ttm -63.69 -49.76 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.634 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 30.3 tt0 -76.98 -17.54 58.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 2.34 111.091 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.93 -25.82 3.6 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.618 -0.265 . . . . 0.47 111.428 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.0 ptp -86.11 -26.93 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.363 . . . . 2.71 110.594 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.34 60.47 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.64 112.711 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 31.8 mmtm -78.29 -80.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.61 0.243 . . . . 2.12 111.063 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.619 HG12 HG23 ' A' ' 47' ' ' VAL . 51.3 t -153.83 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 111.743 0.275 . . . . 1.36 111.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG23 HG12 ' A' ' 46' ' ' VAL . 94.2 t -146.96 152.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.039 0.447 . . . . 1.4 111.425 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 ptt85 -147.36 136.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 2.33 110.614 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -114.27 108.12 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 1.42 111.247 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.8 p -91.19 134.34 34.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 1.01 111.13 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -137.42 145.61 43.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.538 . . . . 2.48 110.824 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -124.32 151.12 44.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 1.11 111.271 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.8 p -137.41 125.72 23.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 2.28 110.825 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -149.36 -177.96 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 5.43 110.977 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.4 47.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 4.91 112.606 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 50.9 t -133.02 -67.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 6.69 110.841 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 57' ' ' LEU . 6.2 mp -73.65 121.86 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 6.81 110.957 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -83.82 -34.19 24.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 7.97 110.771 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.24 -55.86 16.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.864 -0.684 . . . . 7.5 112.293 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -95.83 100.93 12.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 6.87 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -142.02 -50.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 6.43 110.923 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -100.96 -52.6 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 6.9 110.882 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.9 t -78.02 141.08 39.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.441 . . . . 5.99 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -109.38 95.1 17.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 5.95 110.838 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.92 -35.88 6.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.575 2.184 . . . . 7.21 112.433 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.46 -48.83 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 7.06 111.052 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.02 -44.38 1.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 5.83 112.451 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -62.32 145.17 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 7.13 110.79 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.79 141.99 24.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 4.83 111.073 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.98 121.08 26.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 2.22 111.15 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 62.1 m 64.48 101.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 2.18 110.945 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' NE ' ' OD2' ' A' ' 34' ' ' ASP . 29.5 ptt180 -143.86 161.97 37.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 2.92 111.094 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' HB2' ' A' ' 20' ' ' LYS . 16.9 pt20 -150.41 139.07 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 2.14 110.694 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.4 pt-20 -116.3 172.53 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.002 0.429 . . . . 2.19 111.432 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 6.1 m0 -116.83 156.51 27.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.86 -0.609 . . . . 3.32 110.4 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.454 ' CH2' ' HG2' ' A' ' 40' ' ' MET . 60.0 t-105 -108.5 134.93 50.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.499 -0.318 . . . . 2.88 110.75 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -147.81 145.45 28.75 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.981 0.419 . . . . 0.39 111.643 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.6 mp -109.58 -174.3 2.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.18 110.737 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' N ' HG11 ' A' ' 46' ' ' VAL . 19.6 tpp180 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.328 -0.844 . . . . 4.96 110.935 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.899 0.381 . . . . 3.77 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.03 101.17 4.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.46 111.047 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -93.1 -179.34 5.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 1.58 110.924 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp -77.4 -18.34 57.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.58 111.247 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.472 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtm -52.54 -36.65 56.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.872 0.367 . . . . 2.52 110.734 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.85 -63.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 2.77 110.677 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 4' ' ' LEU . 11.0 p -55.11 -32.89 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.209 0.528 . . . . 1.59 110.235 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.34 -49.15 78.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.532 -0.758 . . . . 2.28 110.857 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.24 -45.75 86.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.5 . . . . 2.19 110.793 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.2 mmt -51.6 -61.07 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 1.87 110.744 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 76' ' ' TRP . 3.5 mm? -62.14 -47.53 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 2.1 110.772 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -24.48 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 1.09 111.199 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.7 mt -106.29 -26.24 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 1.99 111.043 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.63 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 2.19 111.226 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.48 -112.1 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.833 -0.698 . . . . 1.53 112.548 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 4.5 mpt_? -110.36 121.71 45.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.589 0.233 . . . . 2.73 110.64 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 80.9 mtp -159.89 175.35 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 2.04 111.175 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' OE2' ' CZ3' ' A' ' 75' ' ' TRP . 1.1 pm0 -107.73 147.15 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 2.7 110.801 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 37' ' ' LEU . . . -83.55 -22.24 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.56 111.618 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 61.0 pttt -49.96 -40.13 42.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 1.98 110.914 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 53.4 mt-30 -66.9 -51.22 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 2.17 110.609 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.8 -44.77 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 1.76 110.646 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 79.4 p -60.01 -38.28 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 1.3 110.712 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.79 111.052 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -54.55 -30.98 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 3.77 110.739 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.28 12.71 11.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 1.79 111.315 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 57.04 109.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.824 0.345 . . . . 2.31 110.952 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 29' ' ' PRO . 86.3 m -157.38 138.04 9.22 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 0.93 110.898 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 28' ' ' THR . 75.5 Cg_exo -48.39 108.48 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.516 2.144 . . . . 0.64 112.42 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.502 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 47.6 mt-30 -53.75 -45.11 98.91 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 2.29 111.423 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -45.02 -40.64 15.52 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.186 1.924 . . . . 0.71 112.159 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.6 tm? -72.91 -39.92 65.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.928 -0.578 . . . . 0.6 110.68 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 23' ' ' SER . 39.4 mm -48.12 -56.49 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.47 111.268 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 15.4 t70 -52.56 -47.43 66.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.416 . . . . 1.64 110.674 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.12 -26.57 64.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.39 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.422 ' CG ' ' HB3' ' A' ' 4' ' ' LEU . 52.3 ttp -64.05 -54.78 28.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.052 -0.522 . . . . 1.66 110.068 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 ' HG3' ' A' ' 74' ' ' GLU . 50.8 mt -65.73 -51.9 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.564 -0.744 . . . . 1.39 110.23 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' ALA . 36.9 tt0 -49.7 -43.67 47.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.893 -0.594 . . . . 2.33 110.872 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -63.49 -44.77 93.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 3.22 110.667 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ttt -58.06 -42.22 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 2.24 110.741 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.2 tm-20 -84.65 -23.04 29.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 2.34 110.688 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.64 -25.13 3.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.826 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.22 -24.32 30.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 2.71 110.612 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 116.19 60.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.896 -0.668 . . . . 0.64 112.378 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HG3' HG22 ' A' ' 46' ' ' VAL . 24.6 tptp -85.64 -71.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.633 0.254 . . . . 2.12 110.813 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -156.04 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.514 -0.312 . . . . 1.36 111.405 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 48' ' ' ARG . 7.1 p -150.02 154.49 8.99 Favored 'Isoleucine or valine' 0 C--O 1.23 0.05 0 CA-C-O 120.861 0.362 . . . . 1.4 111.071 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.9 ppt_? -149.38 162.56 39.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 2.33 111.433 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mt -133.98 112.25 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 1.42 110.564 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.6 p -86.6 127.68 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.059 0.457 . . . . 1.01 111.704 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -138.17 153.68 49.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.685 . . . . 2.48 110.607 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -107.26 166.85 10.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.418 -0.355 . . . . 1.11 111.273 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.2 p -66.77 129.35 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 2.28 111.058 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -151.43 114.1 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 5.43 110.831 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 132.81 -31.65 2.9 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.66 -0.781 . . . . 4.91 112.58 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.97 -61.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 6.69 111.084 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 57' ' ' LEU . 5.9 mp -80.08 141.55 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 6.81 110.909 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.5 t -99.96 -28.23 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 7.97 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.73 -84.02 0.12 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 7.5 112.446 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 t -87.09 125.13 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 6.87 110.762 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.4 m -127.05 -72.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 6.43 110.889 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -99.83 -46.5 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 6.9 110.763 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.2 p -155.24 123.22 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 5.99 110.881 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 50.4 t -135.69 137.74 26.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 5.95 110.857 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 64' ' ' CYS . 52.7 Cg_exo -54.73 -57.36 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.573 2.182 . . . . 7.21 112.445 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -69.42 -40.93 76.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 7.06 111.07 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.35 86.42 0.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 5.83 112.417 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.69 110.7 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 7.13 110.863 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 54.16 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 4.83 111.176 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.36 125.21 5.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 2.22 111.258 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 82.5 m -148.91 123.63 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 2.18 110.689 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 28.9 ptt180 -138.05 141.79 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 2.92 111.199 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -148.03 141.37 25.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 2.14 110.502 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HG3' HD12 ' A' ' 37' ' ' LEU . 11.7 pt-20 -116.4 172.24 7.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.955 0.407 . . . . 2.19 111.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 17' ' ' MET . 2.4 t-105 -103.38 139.8 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.924 -0.58 . . . . 3.32 110.733 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 48.0 t90 -112.43 121.67 45.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.353 -0.385 . . . . 2.88 110.571 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 16' ' ' ARG . . . -152.24 164.81 36.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.956 0.408 . . . . 0.39 111.511 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.1 mp -98.86 175.12 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 1.18 110.952 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.123 -0.941 . . . . 4.96 110.903 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.834 0.349 . . . . 3.77 110.83 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.42 136.47 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 1.46 111.206 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -139.15 153.8 48.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 1.58 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp -63.57 -23.64 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.58 111.033 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.429 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.3 mmt -56.33 -39.18 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 2.52 111.01 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.94 -63.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 2.77 111.029 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . 34.1 m -62.52 -28.33 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.59 110.745 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 5' ' ' MET . 75.5 ttt180 -54.17 -60.28 3.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.925 -0.58 . . . . 2.28 110.851 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.41 -48.67 64.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 2.19 111.209 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 89.6 mmm -45.45 -49.73 13.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 1.87 111.475 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 22' ' ' LEU . 8.5 mp -81.83 -33.06 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.385 -0.37 . . . . 2.1 111.076 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -53.54 -27.42 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 1.09 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.63 -23.95 49.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.945 -0.571 . . . . 1.99 111.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -117.22 -71.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 2.19 111.04 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' HA2' HD13 ' A' ' 78' ' ' LEU . . . 107.07 153.13 19.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 1.53 112.293 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER 55.93 86.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 2.73 110.817 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.0 mtp -158.27 175.05 14.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 2.04 110.662 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 0.8 OUTLIER -120.71 132.87 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 2.7 110.792 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -17.72 63.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.231 -0.44 . . . . 0.56 111.623 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HE2' ' NE2' ' A' ' 73' ' ' GLN . 14.9 ptmm? -51.51 -43.21 62.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.757 0.313 . . . . 1.98 110.849 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.04 -52.91 44.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 2.17 110.857 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 11' ' ' LEU . 79.1 mt -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.969 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -66.06 -31.97 73.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 1.3 110.624 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -32.9 26.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.79 110.955 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.3 -26.22 62.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 3.77 110.703 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -122.46 12.73 10.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.79 111.285 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 58.75 111.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.878 0.37 . . . . 2.31 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.468 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.3 m -159.19 139.31 8.79 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.93 111.031 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' HG23 ' A' ' 28' ' ' THR . 78.0 Cg_exo -48.81 135.51 28.42 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.571 2.181 . . . . 0.64 112.158 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 67.7 mt-30 -72.5 -43.75 9.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 2.29 111.822 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.5 Cg_exo -58.4 -17.22 32.65 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.117 1.878 . . . . 0.71 112.405 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -87.49 -49.56 7.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.6 111.117 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 mm -47.96 -47.45 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.47 111.528 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 2.4 p30 -50.0 -36.72 29.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.359 . . . . 1.64 110.841 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.81 -26.72 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.39 110.563 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.75 -57.39 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 1.66 110.102 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.4 mp -70.18 -47.42 61.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.763 -0.653 . . . . 1.39 109.991 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.1 -42.89 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.067 0.46 . . . . 2.33 109.953 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -60.22 -48.14 83.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.736 -0.665 . . . . 3.22 110.081 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.401 ' HE2' HD13 ' A' ' 4' ' ' LEU . 44.4 ttm -61.13 -28.11 68.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 2.24 110.105 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' A' ' 45' ' ' LYS . 41.9 mm-40 -86.97 -21.73 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.857 -0.61 . . . . 2.34 110.618 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.76 -24.77 3.68 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.311 -0.404 . . . . 0.47 110.804 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.5 ptm -93.58 -24.61 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 2.71 110.6 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.18 59.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.64 112.452 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' A' ' 46' ' ' VAL . 49.8 tptt -75.45 -61.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 2.12 110.802 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.41 -93.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 1.36 111.565 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.15 149.92 13.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 1.4 111.118 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -133.88 160.54 37.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 2.33 111.118 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.58 97.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 1.42 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 89.8 p -81.88 117.91 22.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 1.01 111.22 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -129.32 153.54 47.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.973 -0.558 . . . . 2.48 111.006 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -126.84 149.07 49.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.11 111.082 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -89.38 118.11 28.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 2.28 110.996 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -102.34 -40.24 6.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 5.43 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.87 -93.64 0.19 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 4.91 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -57.76 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.834 0.349 . . . . 6.69 110.668 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp 59.46 109.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.031 -0.532 . . . . 6.81 111.122 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.5 p -96.81 22.39 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 7.97 111.022 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.47 22.78 49.87 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.714 -0.755 . . . . 7.5 112.589 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' LYS . 51.7 m -62.73 -35.6 80.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 6.87 110.88 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.5 t 63.68 -76.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 6.43 110.98 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' SER . 65.1 tttp -88.77 129.42 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 6.9 111.025 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -123.51 170.59 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 5.99 110.83 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.23 158.4 86.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 5.95 110.94 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 66' ' ' GLU . 31.2 Cg_exo -59.37 -25.45 78.5 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.634 2.223 . . . . 7.21 112.115 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 65' ' ' PRO . 10.1 tp10 68.31 -62.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 7.06 110.907 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.05 -32.18 3.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.674 -0.774 . . . . 5.83 112.518 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -101.96 140.95 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 7.13 110.977 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.45 -70.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 4.83 111.173 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 61.3 160.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 2.22 111.209 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.6 p -51.55 110.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 2.18 110.72 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -139.97 142.73 36.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 2.92 111.239 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.446 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 11.3 pt20 -142.43 130.33 21.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 2.14 110.433 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HG3' HD22 ' A' ' 37' ' ' LEU . 12.7 pt-20 -103.36 172.98 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 2.19 111.621 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.448 ' CG ' ' HB3' ' A' ' 18' ' ' GLU . 5.1 m0 -114.75 145.92 41.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 3.32 110.446 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.62 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 17.2 t90 -101.02 129.47 46.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.466 -0.334 . . . . 2.88 110.798 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.04 146.2 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.39 111.267 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.6 mp -105.07 -176.88 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.0 -0.546 . . . . 1.18 110.834 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 4.96 110.802 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.791 0.329 . . . . 3.77 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.96 122.97 2.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.226 -0.443 . . . . 1.46 111.084 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -99.01 176.31 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.58 110.892 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 5' ' ' MET . 4.1 pp -71.01 -15.62 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 0.58 111.429 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.519 ' N ' HD12 ' A' ' 4' ' ' LEU . 70.0 mtm -56.92 -43.6 81.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 2.52 111.143 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.05 -63.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 2.77 111.201 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG12 HD22 ' A' ' 11' ' ' LEU . 55.2 t -58.58 -26.61 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.59 110.851 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 72.5 ttt180 -60.83 -58.67 7.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 2.28 110.804 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -71.56 -51.76 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 2.19 111.516 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -45.2 -48.42 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.394 . . . . 1.87 111.62 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD22 HG12 ' A' ' 7' ' ' VAL . 8.3 mp -81.68 -35.51 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.775 0.322 . . . . 2.1 111.292 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -55.75 -23.37 29.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.438 -0.346 . . . . 1.09 111.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.21 -23.32 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 1.99 111.099 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -112.5 -66.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 2.19 111.06 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.89 -115.35 1.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 1.53 112.522 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.6 mpt_? -53.06 108.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 2.73 110.859 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.405 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 81.1 mtp -159.12 175.08 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.04 110.915 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.3 pt-20 -138.81 144.74 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 2.7 111.056 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -79.85 -18.84 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.56 111.512 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -47.14 -42.11 18.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 1.98 111.464 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.76 -57.9 6.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.335 -0.393 . . . . 2.17 111.089 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 23' ' ' SER . 4.2 pp -67.55 -19.4 65.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 1.76 111.488 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.539 ' N ' HD12 ' A' ' 22' ' ' LEU . 97.8 p -71.26 -60.4 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.66 0.267 . . . . 1.3 110.783 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -23.55 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 0.79 111.153 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' C ' HD22 ' A' ' 26' ' ' LEU . 20.7 tpt180 -56.94 -29.22 62.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 3.77 111.128 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.1 mm? -119.44 12.6 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.381 . . . . 1.79 111.437 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 63.42 17.67 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.564 0.221 . . . . 2.31 111.195 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 29' ' ' PRO . 63.6 m -65.3 138.84 97.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.705 -0.225 . . . . 0.93 110.949 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 28' ' ' THR . 88.7 Cg_exo -46.15 121.24 4.27 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.465 2.11 . . . . 0.64 112.361 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 89.7 mt-30 -71.75 -44.03 11.72 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.051 -0.522 . . . . 2.29 111.643 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 58.8 Cg_exo -50.72 -26.06 16.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.176 1.917 . . . . 0.71 112.176 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.8 tm? -83.4 -40.94 18.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.6 110.514 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.7 mm -47.77 -49.18 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.47 111.244 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 14.6 t70 -56.86 -42.93 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.64 110.82 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 39' ' ' ARG . . . -74.62 -27.43 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.652 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.8 ttp -66.08 -53.1 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 1.66 110.02 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.668 HD12 ' HG3' ' A' ' 74' ' ' GLU . 45.7 mt -62.24 -55.6 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.688 -0.687 . . . . 1.39 110.097 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.9 tt0 -53.83 -38.71 64.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 2.33 110.303 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 18.7 tpp180 -55.03 -52.74 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 3.22 110.589 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' A' ' 45' ' ' LYS . 15.1 tpt -57.28 -45.42 84.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.279 -0.418 . . . . 2.24 110.556 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.0 tm-20 -72.21 -22.45 61.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 2.34 110.775 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.45 -24.84 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.842 0.354 . . . . 0.47 110.863 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.3 mtm -85.53 -26.89 25.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.229 -0.441 . . . . 2.71 110.5 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.67 63.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.817 -0.706 . . . . 0.64 112.885 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HG3' ' HG3' ' A' ' 40' ' ' MET . 28.8 mmmt -88.0 -84.91 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.586 0.232 . . . . 2.12 111.019 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.444 HG12 HG22 ' A' ' 47' ' ' VAL . 85.3 t -143.18 -90.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 1.36 111.278 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 77' ' ' ALA . 19.9 m -154.09 164.64 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 121.035 0.445 . . . . 1.4 111.548 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 48' ' ' ARG . 7.2 ppt_? -150.5 161.98 41.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 2.33 110.576 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.7 105.92 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 1.42 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.4 p -89.06 123.3 33.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 1.01 111.433 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.66 155.2 50.12 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.045 -0.525 . . . . 2.48 110.91 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.7 t -93.27 127.87 39.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 1.11 111.06 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.2 p -89.07 102.67 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 2.28 110.911 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.38 115.64 28.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 5.43 110.959 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 43.27 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 4.91 112.528 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.4 t -162.72 -64.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 6.69 110.916 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 57' ' ' LEU . 5.2 mp -77.32 117.27 18.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.248 -0.433 . . . . 6.81 110.87 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.3 m -85.7 -25.76 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 7.97 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.91 -32.65 44.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 7.5 112.44 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t 57.73 174.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 6.87 110.943 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -152.31 176.15 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 6.43 110.821 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -103.83 -62.12 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 6.9 110.963 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p -78.19 136.93 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 5.99 110.925 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 76.4 m -122.63 143.72 40.65 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 5.95 110.979 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.34 -43.82 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.566 2.177 . . . . 7.21 112.362 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' HB3' ' HG3' ' A' ' 68' ' ' LYS . 10.4 mm-40 -93.95 -52.68 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 7.06 111.021 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.02 20.67 64.64 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.709 -0.758 . . . . 5.83 112.132 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' HG3' ' HB3' ' A' ' 66' ' ' GLU . 51.8 mtmt -53.7 125.26 17.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.799 0.333 . . . . 7.13 110.8 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.54 96.5 0.38 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 4.83 111.195 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.82 -177.65 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 2.22 110.972 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -53.16 115.46 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 2.18 110.575 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 6.0 ptp180 -121.25 144.98 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 2.92 111.099 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -143.38 137.29 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.834 -0.621 . . . . 2.14 110.261 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.668 ' HG3' HD12 ' A' ' 37' ' ' LEU . 12.9 pt-20 -114.91 -176.94 3.01 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.657 -0.417 . . . . 2.19 111.695 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 33.0 m0 -117.31 152.85 34.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.838 -0.619 . . . . 3.32 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.673 ' CD1' HD11 ' A' ' 78' ' ' LEU . 72.3 t-105 -111.64 118.91 36.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 2.88 110.81 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -128.19 133.63 48.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.39 111.216 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 76' ' ' TRP . 4.5 mp -105.31 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 1.18 110.937 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.35 -0.833 . . . . 4.96 111.047 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.862 0.363 . . . . 3.77 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.65 131.53 39.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 1.46 110.858 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -135.32 169.43 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 1.58 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp -63.15 -15.79 57.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.58 111.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.485 ' N ' HD12 ' A' ' 4' ' ' LEU . 19.0 ptm -48.41 -36.13 14.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.917 0.389 . . . . 2.52 111.076 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.68 -63.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 2.77 110.792 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 4' ' ' LEU . 7.8 p -56.52 -29.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.418 . . . . 1.59 110.593 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -57.99 -56.06 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.88 -0.6 . . . . 2.28 110.68 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.73 -45.88 92.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 2.19 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.6 mmt -50.42 -60.05 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.87 110.913 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' HG ' ' CE3' ' A' ' 76' ' ' TRP . 4.3 mm? -63.57 -47.77 80.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 2.1 111.127 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.7 -24.85 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 1.09 111.321 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 mt -111.96 16.53 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 1.99 111.569 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -138.1 -80.01 0.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.692 0.282 . . . . 2.19 111.074 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' HA3' ' NH1' ' A' ' 16' ' ' ARG . . . 142.45 -82.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.677 -0.773 . . . . 1.53 112.751 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -100.5 106.67 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.676 0.274 . . . . 2.73 111.137 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 71.9 mtp -161.5 173.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 2.04 111.018 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 17.0 pt-20 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 2.7 110.598 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -80.94 -12.83 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.56 111.593 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -47.77 -62.43 1.46 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.347 . . . . 1.98 111.315 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -56.46 -58.13 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 2.17 110.852 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.8 mt -52.19 -35.36 48.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 1.76 110.706 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' HB2' HD11 ' A' ' 33' ' ' ILE . 42.7 t -62.24 -50.84 70.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.099 -0.501 . . . . 1.3 110.969 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.79 110.817 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.67 -22.55 64.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 3.77 111.158 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -103.63 -7.52 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 1.79 111.613 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 65.7 19.5 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.594 0.235 . . . . 2.31 111.205 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' HD2' ' A' ' 29' ' ' PRO . 43.0 m -80.4 138.89 51.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.509 -0.314 . . . . 0.93 110.924 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' HD2' HG23 ' A' ' 28' ' ' THR . 87.3 Cg_exo -46.44 130.85 14.88 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.451 2.101 . . . . 0.64 112.392 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.2 mp0 -68.49 -46.33 36.44 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 2.29 111.359 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 85.4 Cg_exo -45.09 -31.59 5.9 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.22 1.946 . . . . 0.71 112.339 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.9 tm? -72.94 -33.05 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.6 110.475 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 19' ' ' ALA . 48.0 mm -51.32 -53.02 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.47 110.867 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB2' ' HG3' ' A' ' 72' ' ' ARG . 12.9 t70 -48.8 -38.11 21.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.029 0.442 . . . . 1.64 110.435 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -81.47 -26.0 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.687 -0.688 . . . . 0.39 110.746 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.9 ttm -61.59 -52.05 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 1.66 110.529 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.6 mm? -77.63 -50.65 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.39 109.932 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -49.24 -44.03 43.28 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.946 -0.57 . . . . 2.33 110.563 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 28.1 ttm180 -66.52 -54.34 24.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 3.22 110.268 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.452 ' HG2' ' HG3' ' A' ' 45' ' ' LYS . 25.6 ttt -54.25 -37.95 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 2.24 110.373 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 44' ' ' GLY . 3.8 tm-20 -84.64 -18.11 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 2.34 110.845 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.96 -25.22 3.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.425 -0.352 . . . . 0.47 111.101 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.3 ptp -84.28 -27.22 28.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 2.71 110.41 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 112.38 54.33 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.826 -0.702 . . . . 0.64 112.659 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 32.5 mmmt -69.48 -72.49 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.694 0.283 . . . . 2.12 110.995 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CB ' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -152.05 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 1.36 111.463 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.76 159.64 9.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-O 120.845 0.355 . . . . 1.4 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 4.3 ppt_? -150.17 162.47 40.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 2.33 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.6 mt -140.77 105.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 1.42 111.098 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.46 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.2 p -82.6 120.25 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 1.01 111.141 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -126.19 151.26 47.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.83 -0.623 . . . . 2.48 110.943 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -122.38 163.14 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 1.11 111.068 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 82.1 p -124.22 120.47 32.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 2.28 111.042 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.48 -62.82 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 5.43 110.419 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.69 -33.94 2.15 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.79 -0.719 . . . . 4.91 112.581 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.3 m -128.66 172.87 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 6.69 110.779 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.7 tp -117.57 19.46 13.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 6.81 110.897 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.8 m -87.08 -29.4 21.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.804 0.335 . . . . 7.97 111.032 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.27 -25.87 73.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 7.5 112.527 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.6 m 66.28 -69.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 6.87 111.044 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 84.4 m 64.95 170.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 6.43 110.818 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -176.12 172.06 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 6.9 111.287 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.42 ' O ' ' CE ' ' A' ' 62' ' ' LYS . 47.9 t -69.2 109.54 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 5.99 111.054 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.93 145.54 46.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 5.95 110.808 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.81 -31.47 10.27 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.488 2.125 . . . . 7.21 112.276 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.94 -66.31 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 7.06 111.017 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.52 47.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.803 -0.713 . . . . 5.83 112.437 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -133.42 127.09 32.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 7.13 110.76 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.34 174.77 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 4.83 111.178 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.47 -165.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 2.22 111.021 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -50.47 106.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.424 -0.353 . . . . 2.18 110.921 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 34' ' ' ASP . 22.1 ptt180 -123.2 143.31 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 2.92 110.755 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -142.12 140.97 32.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.385 . . . . 2.14 110.945 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 50' ' ' SER . 12.7 pt-20 -118.62 153.15 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 2.19 111.271 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 9.5 t-105 -91.27 153.79 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.798 -0.637 . . . . 3.32 110.629 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.529 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 59.4 t90 -129.46 124.53 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 2.88 110.992 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.53 169.45 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.39 111.337 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.2 mp -104.42 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 1.18 110.792 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.265 -0.874 . . . . 4.96 110.852 179.766 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 ttp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.929 0.395 . . . . 3.77 110.841 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.13 126.83 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 1.46 111.248 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -117.36 154.65 30.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 1.58 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp -64.66 -13.73 55.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.58 111.342 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.54 ' N ' HD12 ' A' ' 4' ' ' LEU . 1.6 mpt? -64.9 -34.31 78.09 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 2.52 110.686 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.69 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 2.77 110.508 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.6 -30.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.59 110.254 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -56.81 -44.93 82.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.73 -0.668 . . . . 2.28 110.533 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 2.19 110.461 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mmt -50.83 -53.97 27.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 1.87 110.523 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HG ' ' CG ' ' A' ' 76' ' ' TRP . 3.8 mm? -70.74 -29.27 65.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 2.1 110.995 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.7 -33.77 70.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.09 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -93.53 -45.88 7.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.99 111.205 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -94.03 -76.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 2.19 111.014 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.82 155.01 23.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 1.53 112.442 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.0 OUTLIER 56.31 89.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.631 0.253 . . . . 2.73 111.12 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.451 ' O ' ' CD1' ' A' ' 75' ' ' TRP . 62.0 mtm -161.95 175.78 11.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 2.04 110.942 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -115.66 152.71 32.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.579 . . . . 2.7 110.581 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -81.9 -14.01 56.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.56 111.453 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HA ' ' HG ' ' A' ' 23' ' ' SER . 62.8 pttt -67.48 -46.12 73.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.744 0.307 . . . . 1.98 110.896 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 17.9 mm-40 -61.31 -55.02 36.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 2.17 110.969 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.56 -39.24 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.76 110.993 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 20' ' ' LYS . 89.5 p -68.3 -39.24 82.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.3 110.805 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.42 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.535 . . . . 0.79 111.142 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -62.42 -26.56 68.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 3.77 110.815 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.3 mt -125.84 14.26 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.79 111.42 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 56.42 105.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 2.31 110.856 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -150.87 138.55 12.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.517 . . . . 0.93 110.779 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 28' ' ' THR . 90.3 Cg_exo -44.09 108.24 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.517 2.145 . . . . 0.64 112.39 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 43.6 mt-30 -58.04 -44.24 99.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 2.29 111.642 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 69.0 Cg_exo -50.47 -26.64 16.8 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.149 1.899 . . . . 0.71 112.228 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -84.66 -41.06 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.6 110.684 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.54 HG23 ' HB1' ' A' ' 19' ' ' ALA . 49.6 mm -47.64 -52.53 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.47 111.402 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' ' HB2' ' A' ' 72' ' ' ARG . 8.5 t70 -48.87 -36.68 17.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 1.64 110.748 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.65 -25.56 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.711 -0.677 . . . . 0.39 110.874 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.465 ' HB3' ' HE2' ' A' ' 36' ' ' MET . 51.8 ttp -63.33 -53.45 52.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.042 -0.526 . . . . 1.66 110.907 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 19' ' ' ALA . 6.1 mp -74.87 -44.64 47.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 1.39 111.078 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.93 -42.64 90.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 2.33 110.948 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 33.3 ttm180 -70.07 -41.65 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 3.22 110.997 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.484 ' HG2' ' CH2' ' A' ' 76' ' ' TRP . 15.9 tpt -51.22 -55.44 18.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 2.24 110.776 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.65 -20.71 58.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 2.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -51.2 -25.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.47 110.891 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 79.9 mmm -98.06 -23.34 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 2.71 110.816 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.04 82.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.699 -0.762 . . . . 0.64 112.443 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 52.5 tptt -103.71 -87.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.537 0.208 . . . . 2.12 111.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG12 HG23 ' A' ' 47' ' ' VAL . 99.5 t -157.43 -84.01 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 116.623 -0.262 . . . . 1.36 111.172 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG23 HG12 ' A' ' 46' ' ' VAL . 97.8 t -145.1 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.871 0.367 . . . . 1.4 111.108 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 3.4 ppt_? -152.95 162.43 41.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 2.33 110.532 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 75' ' ' TRP . 10.0 mt -133.51 107.9 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 1.42 111.166 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.425 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 78.7 p -77.05 110.11 11.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 1.01 110.899 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.44 138.74 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.918 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -117.14 167.22 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.11 110.94 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -163.36 130.12 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 2.28 110.99 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -157.69 25.26 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 5.43 110.974 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.01 -30.56 2.81 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 4.91 112.553 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.46 -178.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 6.69 110.963 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 mt -100.55 169.36 9.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 6.81 110.921 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.4 p -87.56 -25.7 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 7.97 110.851 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.49 -37.36 66.53 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 7.5 112.431 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -85.57 164.88 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 6.87 110.797 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.7 m -110.79 -53.32 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 6.43 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -115.66 -175.55 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 6.9 110.721 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 t 178.89 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 5.99 111.013 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.4 m -79.16 156.44 76.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 5.95 110.962 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.78 -49.89 10.5 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.607 2.205 . . . . 7.21 112.092 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -105.25 -55.71 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 7.06 110.707 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.93 66.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 5.83 112.483 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -85.51 140.71 30.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 7.13 110.937 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.24 173.31 7.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 4.83 111.093 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.99 -54.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 2.22 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 76.2 m -94.58 84.81 4.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 2.18 110.718 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 76.3 mtm180 -88.84 155.63 19.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 2.92 111.189 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' OE1' ' CD ' ' A' ' 20' ' ' LYS . 6.6 pt20 -151.98 115.58 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 2.14 110.64 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -93.8 -169.81 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.999 0.428 . . . . 2.19 110.824 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.521 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 4.8 t-105 -126.18 147.07 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.749 -0.659 . . . . 3.32 110.632 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.521 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 3.0 t90 -113.63 111.88 22.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 2.88 110.298 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.82 138.47 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.39 111.355 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.2 mp -105.22 -176.09 2.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 1.18 110.705 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.444 ' N ' HG11 ' A' ' 46' ' ' VAL . 20.9 ttp-105 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.181 -0.914 . . . . 4.96 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.802 0.334 . . . . 3.77 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.75 143.28 28.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.46 111.129 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -102.33 166.6 10.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 1.58 110.818 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.6 pp -59.4 -21.29 59.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.58 111.039 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.453 ' N ' HD12 ' A' ' 4' ' ' LEU . 38.3 tpp -51.62 -46.18 63.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.454 -0.339 . . . . 2.52 110.935 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -58.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 2.77 110.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 22' ' ' LEU . 57.8 t -56.33 -33.51 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 1.59 110.482 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -57.03 -59.15 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.834 -0.621 . . . . 2.28 110.975 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -55.22 -43.58 74.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 2.19 110.987 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.3 mtp -49.06 -56.49 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 1.87 111.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.0 mp -80.27 -35.03 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.39 . . . . 2.1 111.133 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -21.08 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.09 111.548 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.8 27.8 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 1.99 111.229 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -148.71 -58.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 2.19 111.044 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.58 -116.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 1.53 112.482 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.5 mpt_? -71.47 109.28 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.371 . . . . 2.73 110.92 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.444 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 85.9 mtp -154.3 156.21 36.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.034 -0.53 . . . . 2.04 110.811 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' OE1' ' CE2' ' A' ' 75' ' ' TRP . 24.2 mt-10 -105.23 148.75 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.7 110.894 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -80.55 -20.96 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.56 111.12 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HA ' ' OG ' ' A' ' 23' ' ' SER . 21.8 ptmt -64.86 -26.44 68.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.295 -0.412 . . . . 1.98 111.153 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.85 -58.28 9.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 2.17 110.978 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -69.41 -32.55 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 1.76 111.019 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.507 ' HA ' HG22 ' A' ' 28' ' ' THR . 56.2 p -60.59 -39.27 87.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 1.3 110.684 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.25 28.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.093 -0.503 . . . . 0.79 111.048 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 3.77 110.811 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 22' ' ' LEU . 3.8 mm? -101.18 -15.52 17.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 1.79 111.328 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' SER . 54.9 mt-30 64.42 82.32 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.796 0.331 . . . . 2.31 111.261 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 23' ' ' SER . 14.5 t -139.93 146.03 45.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.93 110.831 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.07 116.56 0.6 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.48 2.12 . . . . 0.64 112.5 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 17.3 mm-40 -61.59 -43.86 89.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 2.29 111.645 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -53.4 -45.91 37.65 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.136 1.891 . . . . 0.71 112.171 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.541 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -55.83 -47.75 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.6 110.643 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.428 HG23 ' HE2' ' A' ' 36' ' ' MET . 49.9 mm -48.23 -44.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.47 110.984 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' OD1' ' CD ' ' A' ' 72' ' ' ARG . 17.5 t70 -50.06 -38.39 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.64 110.875 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.62 -25.38 45.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.39 110.998 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE2' HG23 ' A' ' 33' ' ' ILE . 44.0 ttp -63.14 -57.08 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.66 110.374 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 6.6 mp -70.59 -41.48 72.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.002 -0.545 . . . . 1.39 110.133 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 37.6 tt0 -53.08 -42.88 66.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.121 -0.49 . . . . 2.33 110.18 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -67.52 -45.86 74.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 3.22 110.481 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.41 -45.61 80.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 2.24 110.437 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.37 -28.63 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 2.34 110.234 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.19 -25.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 0.47 110.859 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.73 -25.1 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 2.71 110.749 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.58 69.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.64 112.569 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' CZ2' ' A' ' 76' ' ' TRP . 3.1 tppp? -92.0 -76.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.605 0.241 . . . . 2.12 110.908 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 HG13 ' A' ' 47' ' ' VAL . 99.4 t -154.06 -86.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.508 -0.315 . . . . 1.36 111.16 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG13 HG12 ' A' ' 46' ' ' VAL . 34.5 m -142.72 147.34 20.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.947 0.403 . . . . 1.4 111.449 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 38' ' ' GLU . 21.5 ptt180 -135.4 150.31 49.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 2.33 110.805 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.543 HG21 ' CZ3' ' A' ' 75' ' ' TRP . 34.1 mm -129.05 102.37 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.846 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 78.6 p -90.89 116.99 29.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.966 0.412 . . . . 1.01 111.263 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -124.96 157.32 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.967 -0.561 . . . . 2.48 110.694 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.8 t -121.31 153.09 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 1.11 111.328 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -59.39 162.76 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 2.28 110.68 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.66 110.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 5.43 110.696 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.66 30.06 2.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 4.91 112.407 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.42 ' C ' HD12 ' A' ' 57' ' ' LEU . 83.3 m -72.85 -58.4 3.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 6.69 110.979 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.8 mp -102.06 161.17 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 6.81 110.9 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.4 p -100.37 20.75 14.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 7.97 111.1 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.84 -53.93 36.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.626 -0.797 . . . . 7.5 112.418 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.6 t -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.3 . . . . 6.87 110.776 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.6 m -149.55 -58.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 6.43 111.032 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -114.6 177.4 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 6.9 110.99 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p 50.54 100.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 5.99 110.993 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.8 m -88.21 146.03 37.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 5.95 110.906 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.66 -49.58 2.27 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.578 2.186 . . . . 7.21 112.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.78 -175.38 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 7.06 110.859 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.37 46.42 1.55 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.845 -0.693 . . . . 5.83 112.394 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 24.9 ttpp -109.5 122.17 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 7.13 110.988 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 68' ' ' LYS . . . 67.93 19.14 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 4.83 111.51 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.8 117.33 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 2.22 110.973 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.442 ' CB ' ' HG3' ' A' ' 31' ' ' PRO . 80.0 m -149.65 114.29 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 2.18 110.95 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' CD ' ' OD1' ' A' ' 34' ' ' ASP . 8.6 ptp180 -145.6 164.47 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 2.92 111.204 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 17.4 pt20 -144.11 131.25 20.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.003 -0.544 . . . . 2.14 110.485 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.8 pt-20 -107.35 168.74 9.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.041 0.448 . . . . 2.19 111.78 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.543 ' CZ3' HG21 ' A' ' 49' ' ' ILE . 3.0 m0 -113.96 153.52 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 3.32 109.984 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.616 ' CZ2' HD11 ' A' ' 78' ' ' LEU . 26.1 t90 -121.41 140.15 52.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 2.88 111.534 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -148.23 137.07 21.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.39 111.113 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.5 mp -103.02 -177.46 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 1.18 110.698 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.218 -0.896 . . . . 4.96 110.809 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.866 0.365 . . . . 3.77 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.48 131.67 41.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.46 111.085 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -129.36 162.13 28.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 1.58 110.918 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD13 ' SD ' ' A' ' 40' ' ' MET . 4.3 pp -70.79 -15.32 62.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.58 111.515 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.504 ' N ' HD12 ' A' ' 4' ' ' LEU . 85.2 mtp -60.15 -40.99 91.81 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.786 0.327 . . . . 2.52 110.97 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.64 -63.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 2.77 110.751 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.0 t -55.96 -40.92 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 116.158 -0.474 . . . . 1.59 110.051 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -47.73 -56.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 2.28 110.893 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.06 -45.89 79.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 2.19 110.239 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 92.8 mmm -52.53 -28.81 22.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.87 110.559 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' A' ' 76' ' ' TRP . 75.4 mt -76.15 -56.13 4.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 2.1 111.108 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -54.13 -23.03 12.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 1.09 111.474 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 2.2 mp -107.46 17.81 22.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 1.99 111.845 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 53.4 mt-30 -158.34 -77.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 2.19 111.363 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 78' ' ' LEU . . . 133.34 -108.84 0.77 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 1.53 112.214 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -59.23 123.89 18.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 2.73 110.588 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 76' ' ' TRP . 57.5 mtp -160.43 175.92 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 2.04 111.165 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 11.9 pt-20 -148.55 141.86 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 2.7 110.855 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -75.42 -23.4 56.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.56 110.987 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -49.43 -60.0 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 1.98 111.218 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -53.85 -53.92 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 2.17 110.992 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.82 -37.04 73.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 1.76 111.065 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.5 m -66.22 -44.29 84.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 1.3 111.186 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.77 -21.79 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.79 111.587 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -84.34 -30.44 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 3.77 111.156 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.6 mm? -108.53 0.48 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.79 111.607 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 64.03 100.92 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.883 0.373 . . . . 2.31 110.835 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.53 HG23 ' HD2' ' A' ' 29' ' ' PRO . 87.8 m -163.22 139.19 5.4 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.155 -0.475 . . . . 0.93 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' HG23 ' A' ' 28' ' ' THR . 89.4 Cg_exo -43.47 138.18 5.3 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.213 . . . . 0.64 112.301 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mp0 -77.17 -44.74 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 2.29 111.839 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.0 Cg_exo -51.82 -47.62 25.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.15 1.9 . . . . 0.71 112.273 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.0 tm? -53.11 -45.72 68.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.6 110.716 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 47.3 mm -47.59 -40.43 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.47 111.267 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' A' ' 74' ' ' GLU . 16.0 t70 -51.34 -38.39 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 1.64 110.801 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.41 -30.86 37.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.874 -0.603 . . . . 0.39 111.348 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.411 ' HE2' HG23 ' A' ' 33' ' ' ILE . 53.1 ttp -58.29 -51.41 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.36 -0.382 . . . . 1.66 111.242 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 76' ' ' TRP . 4.7 mp -79.4 -46.74 16.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 1.39 111.085 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 12.6 mm-40 -56.93 -41.61 78.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.316 . . . . 2.33 110.904 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 79.0 ttt180 -70.42 -56.23 7.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 3.22 110.617 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.552 ' SD ' HD13 ' A' ' 4' ' ' LEU . 15.1 tpt -52.94 -34.29 54.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 2.24 110.608 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.13 -27.0 24.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 2.34 110.482 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.43 -24.99 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.47 110.936 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.73 -24.82 33.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.336 -0.393 . . . . 2.71 110.585 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.28 56.54 0.3 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.799 -0.715 . . . . 0.64 112.688 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 76' ' ' TRP . 58.1 tptt -70.2 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.529 0.204 . . . . 2.12 110.843 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.596 HG11 ' HA ' ' A' ' 78' ' ' LEU . 75.7 t -157.55 -78.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.629 -0.259 . . . . 1.36 110.999 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 HG12 ' A' ' 46' ' ' VAL . 67.4 t -152.04 135.68 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 1.4 111.262 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.422 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 5.2 ppt_? -133.31 162.68 31.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.944 -0.571 . . . . 2.33 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' TRP . 69.7 mt -134.87 113.17 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 1.42 111.135 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -86.46 115.72 24.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 1.01 110.698 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CB ' ' CZ2' ' A' ' 75' ' ' TRP . 10.0 tp10 -134.67 156.74 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 2.48 111.079 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 t -114.65 155.58 26.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.11 111.096 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.2 p -92.15 123.07 35.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.175 -0.466 . . . . 2.28 110.802 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 59.83 152.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 5.43 110.689 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -121.08 -35.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.799 -0.715 . . . . 4.91 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.5 t 67.04 -67.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 6.69 110.893 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.5 mm? -78.01 169.31 18.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.131 -0.486 . . . . 6.81 110.742 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -107.99 -33.59 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 7.97 110.969 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.59 -71.26 0.94 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.78 -0.724 . . . . 7.5 112.634 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 m -97.28 138.11 35.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 6.87 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.9 m -90.01 -64.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 6.43 110.966 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -86.04 -45.14 11.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 6.9 110.907 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.9 t -68.24 146.64 53.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 5.99 110.848 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.411 ' HB3' ' HD2' ' A' ' 65' ' ' PRO . 84.4 m -139.26 159.98 64.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 5.95 110.856 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 64' ' ' CYS . 86.8 Cg_exo -46.65 -41.78 24.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.535 2.157 . . . . 7.21 112.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -125.03 -44.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 7.06 110.84 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.81 24.35 5.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 5.83 112.483 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 15.1 ptmm? -57.36 150.82 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 7.13 110.679 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' LYS . . . 67.56 -67.12 0.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 4.83 111.108 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 60.61 125.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 2.22 111.183 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -153.8 103.21 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 2.18 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -132.13 100.88 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 2.92 110.966 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -110.36 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 2.14 110.95 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -94.81 171.77 8.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.375 -0.375 . . . . 2.19 110.669 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 13.6 m0 -125.02 149.61 47.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 3.32 110.763 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.504 ' CG ' HD11 ' A' ' 11' ' ' LEU . 49.6 m95 -95.82 147.68 23.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 2.88 111.193 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 126.79 3.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.057 -0.52 . . . . 0.39 111.05 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 78' ' ' LEU . 5.0 mp -101.11 -176.39 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.18 110.94 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.315 -0.85 . . . . 4.96 110.819 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.873 0.368 . . . . 3.77 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.69 140.61 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 1.46 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 m -136.21 155.07 50.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.811 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp -62.44 -22.55 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 0.58 111.095 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.448 ' N ' HD12 ' A' ' 4' ' ' LEU . 23.0 ttt -56.88 -40.69 76.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 2.52 110.992 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.28 -64.42 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 2.77 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.56 -38.13 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 1.59 110.37 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -49.89 -59.27 4.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.661 -0.7 . . . . 2.28 111.04 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.72 -38.52 86.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.456 . . . . 2.19 111.246 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.402 ' HE2' HD11 ' A' ' 22' ' ' LEU . 82.4 mtp -50.71 -55.78 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 1.87 111.065 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 11' ' ' LEU . 7.6 mp -73.81 -42.89 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 2.1 111.027 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -50.17 -26.82 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.399 -0.364 . . . . 1.09 111.133 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD12 ' C ' ' A' ' 12' ' ' ALA . 2.6 mp -112.15 20.73 16.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 1.99 111.376 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -136.74 -48.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.498 -0.319 . . . . 2.19 110.953 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.82 -132.72 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 1.53 112.646 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -87.78 139.73 30.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 2.73 110.972 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 ttm -176.47 175.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 2.04 111.151 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' OE2' ' CE3' ' A' ' 75' ' ' TRP . 15.1 pt-20 -133.71 163.16 30.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 2.7 110.801 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -79.85 -22.68 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.56 111.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 55.4 tttp -48.01 -53.16 17.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.37 -0.377 . . . . 1.98 111.016 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -53.96 -51.37 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.17 110.966 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD11 ' HE2' ' A' ' 10' ' ' MET . 87.3 mt -65.69 -28.89 69.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.76 110.829 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' THR . 44.0 t -78.11 -27.04 48.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 1.3 110.91 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 -33.78 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.79 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -61.91 -24.68 67.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 3.77 110.966 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.53 8.36 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 1.79 111.665 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 62.22 21.73 12.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.703 0.287 . . . . 2.31 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' HD2' ' A' ' 29' ' ' PRO . 90.5 m -66.36 140.16 96.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 0.93 111.005 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HD2' HG23 ' A' ' 28' ' ' THR . 71.1 Cg_exo -48.51 132.77 25.41 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.64 112.427 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.9 mt-30 -82.89 -44.33 0.89 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 2.29 111.628 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 77.9 Cg_exo -48.13 -39.22 33.71 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.308 2.005 . . . . 0.71 112.418 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.5 tm? -67.8 -44.07 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.6 110.847 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 48.5 mm -48.46 -36.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.47 111.372 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.9 t70 -47.49 -37.53 12.05 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.147 0.499 . . . . 1.64 110.781 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.7 -29.47 32.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.734 . . . . 0.39 110.762 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.41 ' HB3' HD22 ' A' ' 37' ' ' LEU . 42.2 tpp -56.64 -49.52 74.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 1.66 110.386 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -78.84 -46.62 18.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 1.39 110.568 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.88 -45.18 74.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 2.33 110.405 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 77.1 ttt180 -66.7 -48.51 69.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.011 -0.541 . . . . 3.22 110.583 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.409 ' HB2' ' HE3' ' A' ' 40' ' ' MET . 41.4 ttm -54.87 -49.39 71.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 2.24 110.449 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' A' ' 48' ' ' ARG . 18.1 mm-40 -74.99 -17.92 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 2.34 111.198 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.44 -26.62 5.25 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.91 0.386 . . . . 0.47 111.156 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.4 mmt -82.2 -23.7 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 2.71 110.706 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.72 45.24 1.14 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.76 -0.733 . . . . 0.64 112.283 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 75.0 mmtt -52.69 -80.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.695 0.284 . . . . 2.12 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.493 HG12 HG23 ' A' ' 47' ' ' VAL . 21.5 t -156.52 -73.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.395 -0.366 . . . . 1.36 110.984 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.493 HG23 HG12 ' A' ' 46' ' ' VAL . 96.1 t -149.78 149.64 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 1.4 110.83 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -157.93 139.67 13.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 2.33 110.884 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.6 mm -118.38 127.43 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 1.42 111.283 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 88.3 p -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 1.01 110.857 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.84 144.91 49.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 2.48 111.18 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.0 p -105.3 131.75 52.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.11 111.053 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.7 t -78.5 96.43 5.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 2.28 110.669 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -125.65 -70.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 5.43 110.87 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 -48.84 0.94 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 4.91 112.513 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.9 t -102.69 -60.38 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 6.69 110.895 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.9 tm? -53.5 -66.43 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 6.81 110.534 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.9 t -93.11 21.83 5.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 7.97 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.69 -39.29 75.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 7.5 112.39 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.5 m -108.3 -63.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 6.87 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.42 -174.0 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 6.43 110.844 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -142.75 103.78 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 6.9 110.845 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.2 p -175.91 130.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 5.99 110.706 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.3 p -135.17 140.06 33.57 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 5.95 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.01 -42.33 4.29 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.533 2.155 . . . . 7.21 112.281 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.22 -162.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 7.06 110.895 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.38 107.15 0.94 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.826 -0.702 . . . . 5.83 112.458 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.96 114.66 1.51 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.93 0.395 . . . . 7.13 111.059 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 47.84 89.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 4.83 111.293 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.08 135.71 41.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 2.22 110.822 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.0 p -51.39 105.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 2.18 110.818 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.32 128.01 21.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 2.92 111.087 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.91 146.1 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 2.14 110.767 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -103.59 178.01 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 2.19 111.153 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CE3' ' OE2' ' A' ' 18' ' ' GLU . 3.0 t-105 -126.35 140.08 52.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 3.32 110.33 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 69.7 t90 -107.07 115.92 31.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 2.88 110.8 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB1' ' HG3' ' A' ' 16' ' ' ARG . . . -144.83 160.45 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.39 111.294 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.0 mp -98.17 -171.65 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 1.18 110.573 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.165 -0.921 . . . . 4.96 110.835 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.856 0.36 . . . . 3.77 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.82 108.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.46 111.178 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -99.55 177.12 5.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.58 110.841 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.866 HD13 ' HE2' ' A' ' 40' ' ' MET . 4.0 pp -74.36 -13.63 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.58 111.552 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.514 ' N ' HD12 ' A' ' 4' ' ' LEU . 47.1 ttm -49.55 -50.56 41.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 2.52 111.231 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' MET . 11.1 tp10 -52.05 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 2.77 110.781 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 4' ' ' LEU . 29.6 m -54.75 -29.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.151 0.501 . . . . 1.59 110.205 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' MET . 38.6 ttt180 -54.25 -56.28 19.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 2.28 110.292 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.79 -38.96 90.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.844 -0.616 . . . . 2.19 110.641 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 82.2 mmm -49.29 -57.61 6.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 1.87 110.973 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.611 HD13 ' HB2' ' A' ' 17' ' ' MET . 3.6 mm? -62.55 -38.72 91.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 2.1 111.003 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.63 -40.14 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 1.09 111.263 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 mt -50.1 -58.99 4.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.041 -0.527 . . . . 1.99 111.175 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.41 -74.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 2.19 111.035 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 156.14 -37.62 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 1.53 112.658 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 10.3 mpt_? -104.49 103.03 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 2.73 111.29 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.611 ' HB2' HD13 ' A' ' 11' ' ' LEU . 48.1 mtt -155.01 173.75 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 2.04 110.854 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -149.62 156.76 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 2.7 111.08 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' CB ' ' HE1' ' A' ' 36' ' ' MET . . . -83.03 -13.58 55.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.56 111.617 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 85.5 tttt -46.93 -56.02 7.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.678 0.275 . . . . 1.98 111.342 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.58 -52.3 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.405 -0.362 . . . . 2.17 110.812 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.6 mp -58.85 -30.62 67.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.76 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -73.65 -30.39 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.3 110.986 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.37 -27.32 29.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.79 111.186 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -92.32 -20.91 20.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 3.77 111.181 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -107.56 -16.6 14.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 1.79 111.403 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.61 97.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.852 0.358 . . . . 2.31 110.671 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.549 HG23 ' HD2' ' A' ' 29' ' ' PRO . 82.0 m -154.21 139.53 12.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.93 111.002 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 28' ' ' THR . 85.4 Cg_exo -39.33 119.51 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.652 2.234 . . . . 0.64 112.542 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 20.9 mp0 -65.74 -43.81 61.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 2.29 111.731 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 52.1 Cg_exo -52.99 -19.97 12.52 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.146 1.897 . . . . 0.71 112.375 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -87.26 -42.17 13.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.6 110.286 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 48.9 mm -50.17 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.47 111.38 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 4.1 p30 -48.49 -39.01 21.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.865 0.364 . . . . 1.64 110.921 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.3 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.39 110.719 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.432 ' HE1' ' CB ' ' A' ' 19' ' ' ALA . 55.1 ttp -61.92 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 1.66 110.306 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD12 ' HG3' ' A' ' 74' ' ' GLU . 82.6 mt -64.29 -49.56 71.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.014 -0.539 . . . . 1.39 110.131 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' ALA . 10.1 tp10 -53.48 -37.74 62.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 2.33 110.484 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -61.37 -59.33 5.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 3.22 111.021 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.866 ' HE2' HD13 ' A' ' 4' ' ' LEU . 42.8 tpp -56.62 -36.29 69.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 2.24 110.964 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.71 -20.18 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 2.34 111.157 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -39.14 42.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.47 111.243 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.42 -26.71 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 2.71 110.623 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.42 55.53 0.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.756 -0.735 . . . . 0.64 112.805 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 40' ' ' MET . 60.3 mmtt -65.84 -81.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 2.12 111.135 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG12 HG23 ' A' ' 47' ' ' VAL . 99.1 t -153.81 -84.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 1.36 111.207 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.57 HG23 HG12 ' A' ' 46' ' ' VAL . 98.8 t -144.2 139.66 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.825 0.345 . . . . 1.4 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -131.89 162.52 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 2.33 111.021 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.8 mt -145.34 111.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 1.42 110.951 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 29.2 t -93.6 117.9 30.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 1.01 111.211 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.76 154.31 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 2.48 110.748 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.3 p -90.25 166.63 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 1.11 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -88.78 102.57 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 2.28 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 129.36 29.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 5.43 111.059 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' LEU . . . -110.52 89.6 0.55 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 4.91 112.467 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.4 t 67.33 -68.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.889 0.376 . . . . 6.69 110.998 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' GLY . 47.7 tp -65.66 125.31 24.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 6.81 110.993 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.2 p -124.2 26.88 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 7.97 110.999 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.3 52.99 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.667 -0.777 . . . . 7.5 112.632 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -131.36 160.63 34.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 6.87 110.957 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.9 t -52.94 -49.17 66.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 6.43 110.589 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 64.37 -76.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 6.9 111.355 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -56.6 110.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 5.99 110.926 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.0 m -134.79 151.21 75.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 5.95 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.07 -30.12 7.4 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.618 2.212 . . . . 7.21 112.395 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -128.88 -60.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 7.06 110.906 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.37 74.6 1.25 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.827 -0.701 . . . . 5.83 112.464 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -52.38 118.42 3.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.74 0.305 . . . . 7.13 111.114 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 55.53 22.07 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 4.83 111.487 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.54 123.92 16.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 2.22 111.033 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.2 m -88.16 120.03 29.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 2.18 110.878 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HG3' ' OD2' ' A' ' 34' ' ' ASP . 10.0 ptp180 -144.32 151.38 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.405 . . . . 2.92 111.099 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -147.99 135.28 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 2.14 110.498 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.52 ' HG3' HD12 ' A' ' 37' ' ' LEU . 13.0 pt-20 -105.85 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.102 0.477 . . . . 2.19 111.888 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 2.1 t-105 -120.14 140.27 51.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 3.32 110.287 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.579 ' O ' HD11 ' A' ' 11' ' ' LEU . 10.3 t90 -110.32 117.77 34.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.938 0.399 . . . . 2.88 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -134.72 138.68 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.39 111.143 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.8 mp -108.57 179.79 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 1.18 110.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.183 -0.913 . . . . 4.96 110.865 179.838 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 3.77 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.64 104.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 1.46 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -93.53 170.18 9.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 1.58 111.121 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp -61.2 -17.25 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.58 111.324 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.484 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.5 mtt -60.7 -29.99 69.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.814 0.34 . . . . 2.52 110.941 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.92 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 2.77 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 19' ' ' ALA . 97.0 t -57.85 -32.9 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.142 -0.481 . . . . 1.59 110.415 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -59.01 -61.25 2.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.549 -0.75 . . . . 2.28 110.786 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.29 -51.2 59.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 2.19 110.498 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -58.85 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 1.87 110.368 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 ' CZ3' ' A' ' 76' ' ' TRP . 21.1 tp -66.01 -58.33 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 2.1 110.603 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.77 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.986 -0.552 . . . . 1.09 110.994 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.55 3.36 54.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 1.99 111.626 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -151.63 -69.48 0.17 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.815 0.341 . . . . 2.19 110.907 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . 99.8 136.75 9.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.762 . . . . 1.53 112.421 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.2 mpt_? 55.77 94.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.703 0.287 . . . . 2.73 110.839 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.404 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 68.9 mtm -159.64 175.14 13.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 2.04 110.82 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -123.18 149.09 45.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 2.7 110.741 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.14 -18.72 41.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.56 111.479 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 73' ' ' GLN . 21.3 ptmt -52.81 -43.28 65.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 1.98 111.128 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.22 -57.54 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 2.17 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.24 -29.2 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 1.76 111.041 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.7 t -76.45 -25.94 54.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.807 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.5 -42.75 52.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.79 110.802 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -72.72 -28.74 62.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 3.77 110.86 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -96.86 -16.26 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.79 111.542 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 64.01 93.34 0.06 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.821 0.344 . . . . 2.31 111.01 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.462 HG23 ' HD2' ' A' ' 29' ' ' PRO . 40.1 m -151.07 138.91 12.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.072 -0.513 . . . . 0.93 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 28' ' ' THR . 82.6 Cg_exo -44.49 132.95 9.78 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.425 2.083 . . . . 0.64 112.414 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.1 mp0 -65.86 -46.0 65.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 2.29 111.579 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 88.9 Cg_exo -45.57 -39.89 17.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.257 1.971 . . . . 0.71 112.143 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.8 tm? -68.57 -51.47 42.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.6 110.678 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.8 mm -47.85 -47.21 12.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.281 -0.418 . . . . 0.47 110.957 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 14.6 t70 -58.36 -39.03 78.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 1.64 110.393 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -26.32 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 0.39 110.752 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.06 -60.22 3.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 1.66 110.142 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 37' ' ' LEU . 6.4 mp -67.31 -45.89 75.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.864 -0.607 . . . . 1.39 109.863 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' ALA . 39.0 tt0 -52.85 -54.02 40.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 2.33 109.952 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -53.86 -39.31 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.769 -0.65 . . . . 3.22 110.347 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.4 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 16.8 tpt -64.55 -62.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.598 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.77 -17.87 64.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 2.34 110.965 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -24.52 2.97 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.786 0.327 . . . . 0.47 111.236 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.405 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 59.1 mtt -87.64 -25.27 23.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 2.71 110.724 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.51 56.65 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.816 -0.707 . . . . 0.64 112.516 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 3.4 mptp? -71.74 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.618 0.247 . . . . 2.12 111.089 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 78' ' ' LEU . 58.6 t -144.01 -83.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.61 -0.268 . . . . 1.36 111.595 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 77' ' ' ALA . 33.5 m -146.83 142.11 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 CA-C-O 121.053 0.454 . . . . 1.4 111.771 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' HD13 ' A' ' 49' ' ' ILE . 5.9 ppt_? -141.46 159.65 41.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 2.33 110.348 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 48' ' ' ARG . 40.9 mm -132.61 113.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 1.42 111.329 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.454 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.8 p -95.58 119.37 33.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 1.01 111.296 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -133.6 146.58 51.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.0 -0.545 . . . . 2.48 110.553 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -106.1 160.52 15.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 1.11 111.342 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -116.39 146.83 42.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 2.28 110.805 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -85.19 -62.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.361 -0.381 . . . . 5.43 110.882 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.78 27.31 7.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 4.91 112.444 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 77.9 m -141.18 -61.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 6.69 110.969 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.7 mp 54.98 22.7 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 6.81 110.839 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.8 p -82.96 -35.41 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 7.97 110.952 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.39 -51.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.635 -0.793 . . . . 7.5 112.513 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -91.09 142.9 27.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.876 0.369 . . . . 6.87 111.022 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.3 m -117.19 -73.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 6.43 110.788 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -71.11 -42.13 69.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 6.9 110.904 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p 50.03 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.412 . . . . 5.99 111.02 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.4 142.76 58.74 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 5.95 110.677 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.67 -40.2 67.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.55 2.167 . . . . 7.21 112.219 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 67.06 -65.04 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 7.06 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.51 -54.05 0.79 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.699 -0.762 . . . . 5.83 112.65 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -85.34 137.4 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 7.13 110.815 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -171.99 115.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 4.83 111.096 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 2.22 111.15 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.4 p -67.44 117.74 9.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 2.18 111.074 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 29.3 ptt180 -150.71 139.44 20.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 2.92 110.8 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 11.0 pt20 -150.43 121.99 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 2.14 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 12.4 pt-20 -107.09 179.16 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.896 0.379 . . . . 2.19 111.281 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.52 ' CD1' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m0 -126.05 146.27 49.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 3.32 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.478 ' CZ3' HD21 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -102.96 125.78 49.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 2.88 110.611 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 47' ' ' VAL . . . -145.73 165.74 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.153 0.502 . . . . 0.39 111.845 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.9 mp -108.09 -173.67 2.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 1.18 110.708 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.204 -0.903 . . . . 4.96 110.843 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mmm . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.77 0.319 . . . . 3.77 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.21 102.37 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.408 . . . . 1.46 111.054 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' HB2' ' HG2' ' A' ' 5' ' ' MET . 69.7 m -91.41 156.68 17.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 1.58 110.81 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 5' ' ' MET . 4.6 pp -69.88 -21.34 63.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.58 111.228 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.454 ' N ' HD12 ' A' ' 4' ' ' LEU . 24.9 ptm -54.3 -35.63 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 2.52 111.049 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -61.27 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.531 . . . . 2.77 110.656 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG22 HD13 ' A' ' 11' ' ' LEU . 13.8 p -61.68 -29.09 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.488 -0.778 . . . . 1.59 110.32 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -53.85 -60.53 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.524 -0.762 . . . . 2.28 110.958 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.3 -45.49 91.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 2.19 111.201 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 94.8 mmm -47.13 -56.81 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 1.87 111.3 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD13 HG22 ' A' ' 7' ' ' VAL . 8.3 mp -74.59 -25.16 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 2.1 110.856 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -54.28 -39.73 67.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 1.09 110.915 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 12' ' ' ALA . 3.2 mp -107.76 27.53 9.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.542 . . . . 1.99 110.98 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . 7.4 tp60 -127.86 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.19 110.852 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.73 -125.95 3.14 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.7 -0.762 . . . . 1.53 112.435 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.7 mpt_? -74.88 123.13 24.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.706 0.289 . . . . 2.73 110.761 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 75' ' ' TRP . 7.4 mtp -170.2 175.55 4.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 2.04 111.188 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 16.3 pt-20 -141.47 141.75 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 2.7 110.705 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -64.06 -20.34 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.56 111.194 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -48.33 -51.68 25.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 1.98 111.132 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -55.22 -56.12 23.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 2.17 110.741 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.57 -26.49 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 1.76 111.035 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -62.02 -49.11 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 1.3 110.927 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.47 -34.64 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.79 111.124 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -68.22 -26.59 65.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 3.77 111.016 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.83 11.67 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.79 111.382 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 57.1 107.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.895 0.379 . . . . 2.31 110.991 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.503 HG23 ' HD2' ' A' ' 29' ' ' PRO . 85.6 m -162.79 138.06 5.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.93 110.71 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 28' ' ' THR . 6.3 Cg_endo -49.58 143.04 22.57 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.616 2.21 . . . . 0.64 112.243 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.5 mt-30 -77.09 -44.22 2.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 2.29 111.894 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 34.3 Cg_exo -56.36 -34.59 94.61 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.046 1.831 . . . . 0.71 112.129 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.3 tm? -67.43 -37.8 83.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.6 110.708 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 19' ' ' ALA . 50.1 mm -48.49 -54.65 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.47 111.456 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' HB2' ' HG3' ' A' ' 72' ' ' ARG . 13.6 t70 -49.13 -40.03 30.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 1.64 110.85 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.19 -25.21 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.556 . . . . 0.39 110.82 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.2 ttm -64.7 -54.59 29.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.66 110.64 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 19' ' ' ALA . 2.8 mm? -73.78 -46.97 42.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 1.39 110.437 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ALA . 9.6 tp10 -54.38 -40.11 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 2.33 110.403 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -65.47 -53.68 39.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 3.22 110.672 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.445 ' HE1' ' CE3' ' A' ' 76' ' ' TRP . 53.3 ttp -56.63 -39.52 73.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 2.24 110.574 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 4.6 tm-20 -82.05 -21.49 36.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 2.34 110.758 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.28 -33.5 20.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.356 -0.384 . . . . 0.47 111.13 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 ptm -73.06 -26.77 61.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.936 0.398 . . . . 2.71 110.449 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 55.97 0.25 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.657 -0.782 . . . . 0.64 112.995 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 72.8 mmtt -71.35 -82.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.726 0.298 . . . . 2.12 110.903 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG11 ' N ' ' A' ' 79' ' ' ARG . 85.3 t -153.39 -83.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 1.36 111.2 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 48' ' ' ARG . 12.4 p -146.29 155.72 12.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.826 0.346 . . . . 1.4 111.352 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' N ' HG22 ' A' ' 47' ' ' VAL . 1.8 ppt_? -149.95 162.15 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 2.33 110.989 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -140.78 116.75 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 1.42 111.092 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 79.5 p -95.96 117.76 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.01 111.383 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -114.36 147.68 38.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 2.48 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t -82.03 169.26 16.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 1.11 110.873 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.5 m -48.25 165.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 2.28 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 65.28 153.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 5.43 110.752 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.11 140.37 13.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.637 -0.792 . . . . 4.91 112.632 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.9 m 65.91 -179.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 6.69 110.884 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.3 mp 64.84 112.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 6.81 110.961 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.2 p -102.04 26.62 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 7.97 110.836 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.61 -10.84 85.98 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.835 -0.697 . . . . 7.5 112.966 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.5 p -102.95 113.67 27.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.863 0.363 . . . . 6.87 111.04 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -80.93 174.38 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 6.43 110.972 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -88.21 101.76 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 6.9 110.859 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.7 m -166.1 109.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 5.99 110.858 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.7 m -127.35 148.79 67.76 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 5.95 110.972 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.89 -46.87 2.15 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.652 2.234 . . . . 7.21 112.249 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.6 -177.76 6.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 7.06 110.878 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.2 61.8 1.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 5.83 112.376 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 62.9 tttp -97.47 147.24 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 7.13 110.75 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . 68.39 -62.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 4.83 111.275 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 69' ' ' ALA . . . 67.89 131.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 2.22 111.053 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 51.3 t -167.58 117.92 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 2.18 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' HG3' ' HB2' ' A' ' 34' ' ' ASP . 8.4 ptp180 -155.47 155.28 33.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 2.92 110.91 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -147.52 130.49 16.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 2.14 110.572 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 13.0 pt-20 -114.12 170.59 8.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.238 0.542 . . . . 2.19 111.873 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CD1' ' N ' ' A' ' 76' ' ' TRP . 2.4 t-105 -117.53 142.85 46.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.406 -0.815 . . . . 3.32 110.383 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' N ' ' CD1' ' A' ' 75' ' ' TRP . 29.2 t90 -114.75 132.19 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 2.88 110.847 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.442 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -141.96 149.18 39.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.115 -0.493 . . . . 0.39 111.091 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 78' ' ' LEU . 2.6 mp -108.88 169.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 1.18 110.629 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.506 ' N ' HG11 ' A' ' 46' ' ' VAL . 40.6 ttm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.18 -0.914 . . . . 4.96 110.937 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.853 0.359 . . . . 3.77 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.45 141.43 37.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 1.46 111.073 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p -133.36 -173.96 3.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 1.58 110.74 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.4 pp -72.09 -18.12 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.58 111.203 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.499 ' N ' HD12 ' A' ' 4' ' ' LEU . 74.0 mtp -57.05 -36.06 70.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.965 0.412 . . . . 2.52 110.767 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -60.87 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 2.77 110.408 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.424 ' O ' HD23 ' A' ' 11' ' ' LEU . 49.1 t -56.84 -36.34 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 1.59 110.443 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 76' ' ' TRP . 73.9 ttt180 -49.24 -57.98 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.692 -0.685 . . . . 2.28 110.893 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 2.19 110.641 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.5 mmt -53.97 -47.0 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.87 110.928 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 15' ' ' GLY . 3.1 mm? -80.4 -27.19 38.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 2.1 110.888 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.69 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 1.09 111.15 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.9 mt -103.96 -55.88 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 1.99 110.961 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -62.59 -64.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 2.19 111.116 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 138.04 -100.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 1.53 112.52 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.1 mpt_? -101.56 122.72 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.655 0.264 . . . . 2.73 110.786 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 56.5 mtm -160.29 175.38 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 2.04 111.206 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 1.0 OUTLIER -119.54 159.99 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 2.7 110.561 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -82.97 -24.37 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.395 -0.366 . . . . 0.56 111.405 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' CB ' ' OE1' ' A' ' 73' ' ' GLN . 22.1 pttp -59.92 -34.07 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.773 0.321 . . . . 1.98 110.904 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -62.36 -57.54 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 2.17 110.786 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.64 -52.1 62.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.325 -0.398 . . . . 1.76 110.804 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.3 p -53.92 -27.39 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.3 110.825 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.09 -34.72 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.79 111.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' C ' HD22 ' A' ' 26' ' ' LEU . 31.9 mmm180 -84.5 -29.86 25.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 3.77 110.886 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.9 mm? -103.71 -6.47 21.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.79 111.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.3 113.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.941 0.4 . . . . 2.31 111.035 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.461 HG23 ' HD2' ' A' ' 29' ' ' PRO . 91.7 m -163.01 139.44 5.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.93 110.844 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 28' ' ' THR . 78.0 Cg_exo -50.76 112.67 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.64 112.26 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 78.2 mt-30 -55.24 -46.99 99.59 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 2.29 111.549 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 98.0 Cg_exo -42.73 -37.32 5.69 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.341 2.028 . . . . 0.71 112.303 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.3 tm? -80.28 -34.8 36.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.131 -0.486 . . . . 0.6 110.61 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 30' ' ' GLN . 49.1 mm -49.89 -53.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.47 111.4 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 18.3 t70 -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.36 . . . . 1.64 110.986 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 39' ' ' ARG . . . -71.13 -28.46 64.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.332 -0.395 . . . . 0.39 110.74 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.2 ttp -65.53 -52.17 54.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.66 109.984 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD12 ' HG3' ' A' ' 74' ' ' GLU . 50.4 mt -68.92 -51.75 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.797 -0.638 . . . . 1.39 109.708 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' ALA . 37.5 tt0 -48.65 -39.45 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.669 -0.696 . . . . 2.33 110.914 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 35' ' ' ALA . 2.2 tmt_? -66.37 -54.57 22.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 3.22 110.519 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.6 tpt -53.51 -39.2 64.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 2.24 110.508 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -85.98 -19.25 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 2.34 110.892 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.42 -24.65 3.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.508 -0.315 . . . . 0.47 110.982 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 76.8 mtp -87.67 -25.85 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 2.71 110.766 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.47 59.36 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.807 -0.711 . . . . 0.64 112.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HG3' HG22 ' A' ' 46' ' ' VAL . 48.5 tptt -75.13 -70.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 2.12 110.915 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -156.44 -90.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.325 . . . . 1.36 111.571 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 46' ' ' VAL . 22.2 t -144.82 153.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.814 0.34 . . . . 1.4 111.025 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' HD2' ' A' ' 48' ' ' ARG . 3.3 ppt_? -150.21 162.25 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 2.33 111.457 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.8 mt -141.34 113.79 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 1.42 110.747 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 77.5 p -89.57 133.37 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 1.01 111.692 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -136.7 146.87 46.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.596 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -123.3 129.03 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 1.11 111.206 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 79.3 p -174.41 151.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 2.28 110.786 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -174.29 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 5.43 111.17 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.24 -101.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.587 -0.816 . . . . 4.91 112.663 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 72.3 m -54.58 175.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.838 0.352 . . . . 6.69 111.084 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 57' ' ' LEU . 5.0 mp -97.27 27.3 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 6.81 110.701 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.2 m -75.69 -21.1 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 7.97 111.151 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.6 57.05 3.05 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.633 -0.794 . . . . 7.5 112.569 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.1 t -76.86 142.9 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 6.87 111.064 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 69.0 m 62.06 -174.23 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.962 -0.563 . . . . 6.43 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -86.3 -36.61 19.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 6.9 110.751 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.4 p -58.61 150.99 21.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 5.99 110.743 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.0 p -89.05 150.65 45.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 5.95 110.927 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.45 -32.56 31.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.535 2.156 . . . . 7.21 112.208 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 67' ' ' GLY . 31.8 tt0 -142.95 -86.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 7.06 111.082 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' A' ' 66' ' ' GLU . . . -140.5 -62.52 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.836 -0.697 . . . . 5.83 112.281 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.06 108.36 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 7.13 110.831 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.6 116.09 28.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 4.83 111.128 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 111.76 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 2.22 110.991 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 81.2 m 58.53 111.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 2.18 110.644 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -136.61 136.2 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 2.92 111.018 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 18.8 pt20 -145.91 137.0 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 2.14 110.667 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.601 ' HG3' HD12 ' A' ' 37' ' ' LEU . 12.7 pt-20 -113.7 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 2.19 111.322 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.439 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 48.7 m0 -108.81 152.93 24.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 3.32 110.813 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 8' ' ' ARG . 7.4 t90 -123.37 114.06 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 2.88 110.882 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.29 152.84 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.39 111.323 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.3 mp -100.75 161.55 13.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.996 -0.547 . . . . 1.18 110.714 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.431 ' HG2' HG12 ' A' ' 46' ' ' VAL . 9.8 ptp180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.18 -0.914 . . . . 4.96 110.943 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.9 mtp . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.869 0.366 . . . . 3.77 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.52 109.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 1.46 111.093 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -106.44 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.58 110.79 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.6 pp -79.36 -17.11 55.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.58 111.2 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.8 tpp -49.94 -44.19 50.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.366 . . . . 2.52 111.011 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' MET . 45.0 mt-10 -60.39 -63.84 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 2.77 110.907 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' O ' HD13 ' A' ' 11' ' ' LEU . 14.6 p -60.86 -26.45 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 1.59 110.621 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 72.1 ttt180 -59.71 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 2.28 111.067 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.62 -47.2 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 2.19 111.026 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 84.9 mmm -47.25 -49.83 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 1.87 111.319 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 17' ' ' MET . 9.0 mp -83.16 -38.06 22.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.4 -0.363 . . . . 2.1 111.179 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -52.54 -23.32 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.367 . . . . 1.09 111.141 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -96.01 -11.46 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.575 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -107.4 -79.39 0.58 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.793 0.33 . . . . 2.19 111.254 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.56 -134.2 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.9 -0.667 . . . . 1.53 112.314 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' MET . 9.5 mpt_? -58.14 119.71 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 2.73 110.907 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 68.0 mtp -159.41 172.53 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 2.04 110.893 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -126.31 148.97 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.397 . . . . 2.7 110.905 -179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.554 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -83.1 -18.89 37.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.294 -0.412 . . . . 0.56 111.612 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 21.0 pttp -58.66 -39.24 80.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.756 0.312 . . . . 1.98 110.749 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.76 -57.69 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 2.17 110.722 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.62 -28.69 69.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 1.76 110.716 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -71.47 -39.93 70.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 1.3 110.855 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.57 87.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.79 111.143 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.62 -25.17 67.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.381 -0.372 . . . . 3.77 110.94 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.4 -4.5 22.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 1.79 111.616 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 67.93 25.94 7.6 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 2.31 111.024 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.401 HG23 ' HD2' ' A' ' 29' ' ' PRO . 87.3 m -77.06 138.41 65.15 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.93 111.14 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 28' ' ' THR . 52.0 Cg_exo -53.67 114.35 1.73 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.492 2.128 . . . . 0.64 112.388 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 49.2 mt-30 -57.96 -44.98 99.79 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.199 -0.455 . . . . 2.29 111.676 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 78.3 Cg_exo -50.68 -33.96 41.89 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.143 1.896 . . . . 0.71 112.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.6 110.981 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 50.2 mm -48.46 -32.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.47 111.162 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 10.4 t70 -55.82 -36.45 67.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 1.64 110.514 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.69 -27.56 37.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.818 -0.628 . . . . 0.39 111.032 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.16 -56.46 20.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 1.66 110.761 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.9 mp -74.74 -41.9 59.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 1.39 110.688 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 10.6 tp10 -59.83 -44.64 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 2.33 110.6 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' ALA . 71.6 ttt180 -68.42 -57.33 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 3.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 tpt -49.83 -39.42 38.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.978 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -87.18 -21.46 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 2.34 111.249 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 38' ' ' GLU . . . -50.34 -26.01 4.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.778 0.323 . . . . 0.47 111.105 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 68.2 mtm -88.01 -24.27 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 2.71 110.817 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.78 58.95 0.54 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.743 -0.741 . . . . 0.64 112.376 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HG3' HG22 ' A' ' 46' ' ' VAL . 25.8 tptp -80.92 -62.89 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 2.12 110.676 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.467 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -153.41 -91.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.173 -0.467 . . . . 1.36 111.42 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 48' ' ' ARG . 61.7 t -148.47 156.77 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 1.4 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' N ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -150.45 150.36 31.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 2.33 111.028 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.408 HD13 ' O ' ' A' ' 48' ' ' ARG . 26.6 mm -128.06 98.99 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 1.42 110.763 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.422 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 80.7 p -72.55 109.33 6.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.352 -0.385 . . . . 1.01 111.016 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' HG2' ' CZ2' ' A' ' 75' ' ' TRP . 10.5 tp10 -121.92 158.94 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.625 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 t -121.43 168.98 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 1.11 111.371 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.7 m 63.88 155.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 2.28 111.027 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.74 -55.73 20.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 5.43 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.93 53.59 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.627 -0.797 . . . . 4.91 112.647 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.423 ' HB3' HD12 ' A' ' 57' ' ' LEU . 79.3 m -126.17 172.08 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 6.69 111.035 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.8 mp 50.74 24.8 1.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 6.81 110.982 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.0 p -99.94 22.11 11.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 7.97 110.87 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.23 -50.22 70.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 7.5 112.593 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -167.62 121.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 6.87 110.944 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.6 m 56.0 167.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 6.43 110.923 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -71.9 149.26 45.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 6.9 111.021 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.9 m -111.57 -23.14 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 5.99 111.032 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.18 144.78 41.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 5.95 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.62 -36.72 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.663 2.242 . . . . 7.21 112.425 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -110.03 -57.56 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 7.06 111.014 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.27 20.65 10.83 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 5.83 112.531 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -62.13 104.94 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.923 0.392 . . . . 7.13 110.853 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -147.58 -178.3 6.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 4.83 111.149 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.64 -65.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 2.22 111.14 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.8 p -65.99 116.62 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.401 . . . . 2.18 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -140.44 131.72 26.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 2.92 111.065 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.441 ' CG ' ' HB3' ' A' ' 20' ' ' LYS . 3.4 pp0? -140.61 141.83 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 2.14 110.943 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -101.39 171.59 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 2.19 110.505 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CZ2' ' HG2' ' A' ' 51' ' ' GLU . 19.9 m0 -121.99 122.28 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 3.32 110.392 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.467 ' CZ2' ' CG2' ' A' ' 46' ' ' VAL . 53.4 t-105 -76.63 147.58 37.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 2.88 111.127 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.52 137.4 11.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.39 111.114 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.6 mp -103.47 158.39 16.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 1.18 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.027 -0.987 . . . . 4.96 111.033 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.812 0.339 . . . . 3.77 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.24 135.98 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 1.46 111.164 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -111.86 179.84 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.58 110.797 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.584 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp -80.6 -14.14 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.58 111.372 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.551 ' N ' HD12 ' A' ' 4' ' ' LEU . 65.1 mtt -55.72 -46.35 77.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.868 0.366 . . . . 2.52 110.859 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.17 -64.12 1.03 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 2.77 111.152 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.587 ' O ' HD23 ' A' ' 11' ' ' LEU . 22.9 m -57.45 -37.73 59.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 1.59 110.368 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -49.62 -53.66 22.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.659 -0.701 . . . . 2.28 110.973 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.98 -46.17 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 2.19 110.676 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -52.33 -48.04 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.87 110.497 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.593 HD12 ' CE3' ' A' ' 76' ' ' TRP . 4.1 mm? -61.44 -47.62 84.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 2.1 110.713 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 -24.2 51.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.09 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 mt -99.89 -22.31 15.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 1.99 111.139 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -106.91 -73.22 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.915 0.388 . . . . 2.19 110.949 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.25 137.98 10.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.637 -0.792 . . . . 1.53 112.992 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 16' ' ' ARG . 8.9 mpt_? 61.8 80.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 2.73 111.291 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.52 ' HB2' HD11 ' A' ' 11' ' ' LEU . 60.7 mtt -161.1 175.01 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 2.04 111.218 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' CD ' ' CE3' ' A' ' 75' ' ' TRP . 24.9 mt-10 -124.31 153.79 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 2.7 110.58 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -82.69 -20.33 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.56 111.355 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -53.8 -46.82 71.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 1.98 110.892 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -67.1 -57.54 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 2.17 110.959 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.5 mt -57.33 -35.79 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.76 111.088 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -63.83 -43.89 94.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 1.3 111.074 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.27 98.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.79 111.342 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.98 -24.66 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.373 . . . . 3.77 111.205 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.26 4.29 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.494 -0.321 . . . . 1.79 111.663 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 66.4 99.15 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.751 0.31 . . . . 2.31 111.097 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.507 HG23 ' HD2' ' A' ' 29' ' ' PRO . 67.7 m -163.35 139.07 5.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.93 111.037 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 28' ' ' THR . 79.6 Cg_exo -45.41 114.02 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.483 2.122 . . . . 0.64 112.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 27.4 tt0 -57.93 -44.1 99.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 2.29 111.499 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 50.6 Cg_exo -54.25 -57.28 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.268 1.978 . . . . 0.71 112.241 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -46.66 -32.02 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.953 0.406 . . . . 0.6 111.043 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.528 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 45.8 mm -51.81 -33.02 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.137 -0.483 . . . . 0.47 111.054 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' HB3' ' HG3' ' A' ' 72' ' ' ARG . 2.0 p30 -51.33 -36.13 41.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.129 0.49 . . . . 1.64 110.362 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . -81.04 -28.25 35.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.653 -0.703 . . . . 0.39 110.782 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.417 ' SD ' ' HB1' ' A' ' 19' ' ' ALA . 49.9 ttm -56.87 -54.07 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 1.66 110.452 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 19' ' ' ALA . 8.2 mp -76.89 -43.35 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 1.39 110.652 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.23 -40.11 84.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 2.33 110.948 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 41.4 ttm180 -71.41 -57.76 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 3.22 111.147 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.7 ttp -48.72 -40.79 29.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.24 111.164 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.89 -24.1 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 2.34 110.769 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.46 -29.48 10.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.47 111.248 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.2 mmt -82.38 -27.65 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 2.71 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.02 47.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.655 -0.783 . . . . 0.64 112.574 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 46' ' ' VAL . 25.3 tptp -67.84 -67.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 2.12 110.52 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' CZ2' ' A' ' 76' ' ' TRP . 0.0 OUTLIER -155.39 -89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.36 111.257 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -141.08 138.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.773 0.321 . . . . 1.4 111.204 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -141.3 129.61 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 2.33 110.864 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.5 mp -124.49 117.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 1.42 110.967 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 36.0 t -76.57 122.58 24.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 1.01 111.043 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -126.14 140.63 52.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 2.48 110.664 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -92.1 134.44 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 1.11 111.237 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -66.5 109.95 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 2.28 110.91 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -130.33 23.23 5.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 5.43 111.013 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.27 -24.8 5.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 4.91 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.0 m -82.39 -68.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 6.69 110.889 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 57' ' ' LEU . 4.6 mp -85.92 168.22 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 6.81 111.02 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.9 p -105.25 -26.13 12.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 7.97 110.841 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.69 -41.08 49.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 7.5 112.551 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.62 146.22 49.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 6.87 110.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.9 t -142.01 -60.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 6.43 110.842 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -173.87 -40.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 6.9 110.984 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -149.1 114.07 5.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 5.99 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.7 m -87.96 144.06 34.17 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 5.95 111.073 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.91 -48.25 0.73 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.498 2.132 . . . . 7.21 112.244 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -98.8 -46.87 5.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 7.06 110.651 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.92 80.44 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.98 -0.629 . . . . 5.83 112.673 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -75.16 120.83 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 7.13 110.777 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 59.68 -171.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 4.83 111.013 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.22 136.8 36.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 2.22 111.255 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.1 t -158.19 99.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 2.18 110.808 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 34' ' ' ASP . 14.9 ptp180 -144.74 159.15 43.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 2.92 110.856 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -134.69 138.71 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 2.14 110.771 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -94.05 176.38 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 2.19 110.983 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.426 ' CE3' ' CD ' ' A' ' 18' ' ' GLU . 3.8 t-105 -125.89 117.99 24.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.824 -0.625 . . . . 3.32 110.263 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.666 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 67.5 t90 -98.23 140.76 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.909 0.385 . . . . 2.88 111.147 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.77 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.39 110.997 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.666 HD11 ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mp -104.2 161.07 14.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.18 111.114 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.166 -0.921 . . . . 4.96 110.87 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.0 mtp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.808 0.337 . . . . 3.77 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.8 173.33 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.46 111.059 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -142.92 -177.16 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.58 110.638 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.2 pp -66.62 -16.28 64.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.58 111.126 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.499 ' N ' HD12 ' A' ' 4' ' ' LEU . 24.7 ttt -52.95 -37.17 60.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.824 0.345 . . . . 2.52 110.67 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.83 -62.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 2.77 110.366 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.418 ' CG2' HD23 ' A' ' 11' ' ' LEU . 7.6 p -60.03 -28.86 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 1.59 110.436 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -56.27 -56.59 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 2.28 110.742 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.1 -46.97 84.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 2.19 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.0 mtt -51.4 -58.46 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 1.87 110.696 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.418 HD23 ' CG2' ' A' ' 7' ' ' VAL . 3.6 mm? -62.16 -37.33 84.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 2.1 110.894 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.19 -25.24 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.09 110.856 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -104.45 -27.85 11.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 1.99 110.996 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.4 -72.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 2.19 110.992 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.13 -102.49 0.43 Allowed Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.76 -0.733 . . . . 1.53 112.562 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -97.62 108.33 21.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 2.73 110.831 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.7 mtt -157.25 171.76 19.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 2.04 111.153 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 75' ' ' TRP . 13.2 pt-20 -119.37 148.55 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 2.7 110.932 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.02 -19.48 60.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.56 111.198 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 60.2 tttm -46.93 -62.09 1.56 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 1.98 111.119 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -62.51 -48.13 80.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 2.17 110.675 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.93 -40.03 56.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.899 -0.591 . . . . 1.76 111.107 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 27' ' ' GLN . 46.0 t -68.96 -45.03 71.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.3 110.961 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.51 90.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.79 111.172 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -54.54 -39.64 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 3.77 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.0 mm? -104.03 -5.33 22.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 1.79 111.552 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' SER . 88.4 mt-30 66.0 104.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 2.31 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' HD2' ' A' ' 29' ' ' PRO . 88.9 m -161.77 139.46 6.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.93 110.81 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 28' ' ' THR . 73.1 Cg_exo -39.86 114.96 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.568 2.179 . . . . 0.64 112.476 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.6 tp-100 -63.56 -44.62 81.71 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.29 111.778 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -47.05 -35.21 18.47 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.248 1.965 . . . . 0.71 112.425 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -77.29 -41.04 42.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.407 . . . . 0.6 110.606 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.0 mm -47.82 -45.67 11.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.47 111.149 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.7 t70 -53.19 -39.88 63.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 1.64 110.384 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.25 -26.21 55.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.39 110.654 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 4' ' ' LEU . 47.4 tpp -61.26 -56.33 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 1.66 110.189 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 76' ' ' TRP . 67.1 mt -68.04 -48.4 65.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.782 -0.645 . . . . 1.39 110.589 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' OE2' ' NH2' ' A' ' 48' ' ' ARG . 9.5 tp10 -51.44 -39.71 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 2.33 110.478 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -67.83 -43.16 80.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.97 -0.559 . . . . 3.22 110.432 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 tpt -52.87 -44.92 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 2.24 110.535 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.46 -23.24 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 2.34 110.877 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.01 -27.15 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.47 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.1 mtt -89.25 -24.51 22.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.71 110.732 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.31 67.07 0.71 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.824 -0.703 . . . . 0.64 112.529 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.76 -86.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.585 0.231 . . . . 2.12 110.903 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG23 ' N ' ' A' ' 47' ' ' VAL . 10.6 m -120.91 -150.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.36 110.371 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.517 ' N ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -104.36 124.51 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.077 0.465 . . . . 1.4 111.152 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH2' ' OE2' ' A' ' 38' ' ' GLU . 6.6 tmm_? -111.96 138.56 48.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 2.33 110.769 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.1 mm -122.79 112.07 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 1.42 111.153 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 84.7 p -74.78 114.67 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 1.01 110.881 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -118.82 146.04 45.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.43 . . . . 2.48 111.158 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -113.26 132.84 55.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.11 110.928 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -152.81 135.58 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 2.28 110.917 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.61 -64.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 5.43 110.933 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.22 -47.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 4.91 112.444 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.1 t -81.94 -58.37 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 6.69 110.752 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.8 tp -68.54 118.74 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 6.81 110.913 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.6 p -83.77 -28.17 28.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 7.97 110.781 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.85 62.18 0.69 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.793 -0.718 . . . . 7.5 112.377 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 82.6 p -51.23 174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.779 0.323 . . . . 6.87 110.761 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.7 m -153.3 163.9 39.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 6.43 110.829 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -87.59 -29.36 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 6.9 111.027 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.1 m -87.14 104.57 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 5.99 110.729 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 82.3 m -90.44 137.77 27.27 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 5.95 110.913 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.41 -23.11 10.33 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.5 2.134 . . . . 7.21 112.319 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -144.22 -69.51 0.31 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 7.06 110.882 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.14 50.41 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 5.83 112.598 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -117.46 103.77 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 7.13 110.84 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -58.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 4.83 111.025 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.53 18.38 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 2.22 111.594 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.7 131.13 43.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.863 0.363 . . . . 2.18 110.758 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -148.81 125.9 11.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 2.92 111.236 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' HB3' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -145.74 126.71 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 2.14 110.588 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -93.75 -179.67 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.245 0.545 . . . . 2.19 111.124 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.476 ' CD2' ' HB3' ' A' ' 18' ' ' GLU . 2.0 t90 -126.29 124.58 40.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.558 -0.746 . . . . 3.32 109.866 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.471 ' HB2' HD22 ' A' ' 37' ' ' LEU . 1.6 t90 -100.48 120.15 39.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 2.88 111.241 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.74 128.72 21.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.39 110.633 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 78' ' ' LEU . 7.3 mp -61.7 142.82 56.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 1.18 110.958 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HB2' HG13 ' A' ' 47' ' ' VAL . 26.8 tpt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.241 -0.885 . . . . 4.96 111.01 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.875 0.369 . . . . 3.77 110.754 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.93 112.95 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 1.46 111.306 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -91.98 -170.64 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 1.58 110.748 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.3 pp -76.04 -16.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.58 111.432 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.493 ' N ' HD12 ' A' ' 4' ' ' LEU . 81.2 mtp -53.62 -39.66 65.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 2.52 110.793 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.4 -63.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 2.77 110.715 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 11' ' ' LEU . 35.1 m -61.96 -31.67 51.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.531 . . . . 1.59 110.333 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 3.8 tmt_? -51.27 -52.49 44.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.581 -0.736 . . . . 2.28 110.814 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.06 -45.86 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 2.19 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -55.0 -48.58 73.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.87 111.068 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 4.0 mm? -77.16 -33.22 56.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 2.1 111.136 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -66.53 -19.0 65.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 1.09 111.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.3 mt -108.37 20.15 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.505 -0.316 . . . . 1.99 111.315 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -131.87 -65.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.806 0.336 . . . . 2.19 110.916 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.3 -94.22 0.4 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 1.53 112.607 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.2 mpt_? -94.06 91.81 7.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.798 0.332 . . . . 2.73 110.943 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 11.8 mmt -154.81 175.32 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 2.04 111.063 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' OE1' ' HB3' ' A' ' 20' ' ' LYS . 15.7 pt-20 -141.41 161.46 37.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 2.7 110.803 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.553 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . . . -77.04 -16.54 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.56 111.502 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . 57.1 tttm -49.75 -47.04 51.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 1.98 110.991 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -53.33 -58.07 8.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 2.17 110.96 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 23' ' ' SER . 4.3 pp -72.85 -19.11 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 1.76 111.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.502 ' N ' HD12 ' A' ' 22' ' ' LEU . 47.7 t -70.06 -39.23 75.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 1.3 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.56 -39.97 21.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.938 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.23 -24.31 67.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 3.77 110.87 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.8 -11.3 16.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.238 -0.437 . . . . 1.79 111.451 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 61.18 76.49 0.37 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.935 0.398 . . . . 2.31 110.958 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 23' ' ' SER . 13.6 t -132.55 146.69 62.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.93 111.021 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -46.03 118.86 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.374 2.049 . . . . 0.64 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 70.6 mt-30 -69.66 -43.53 21.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 2.29 111.909 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.59 -26.19 8.82 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.381 2.054 . . . . 0.71 112.748 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -87.2 -44.65 11.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.52 -0.309 . . . . 0.6 110.983 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.553 ' CG2' ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -47.38 -49.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.47 111.281 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CB ' ' HG3' ' A' ' 72' ' ' ARG . 32.2 t70 -50.91 -39.81 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.44 -0.346 . . . . 1.64 110.707 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.26 -26.36 58.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.39 110.634 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.42 ' HG3' ' HB3' ' A' ' 4' ' ' LEU . 46.2 ttm -62.68 -47.91 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 1.66 110.053 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.2 mm? -70.87 -52.97 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 1.39 109.986 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' ALA . 46.1 mt-10 -51.11 -38.64 53.04 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 120.933 0.397 . . . . 2.33 110.25 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -63.03 -49.4 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 3.22 110.615 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.409 ' HG3' ' HG3' ' A' ' 45' ' ' LYS . 13.9 tpt -61.11 -43.11 99.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 2.24 110.887 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -81.19 -17.29 50.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 2.34 111.359 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -50.14 -26.59 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.47 111.175 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.1 ptm -81.2 -24.6 37.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 2.71 110.64 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.78 46.6 0.71 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.817 -0.706 . . . . 0.64 112.42 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 41' ' ' GLU . 30.9 mmmt -61.38 -77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.701 0.286 . . . . 2.12 111.165 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 HG23 ' A' ' 47' ' ' VAL . 92.6 t -150.57 -84.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.496 -0.32 . . . . 1.36 111.613 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.693 HG23 HG12 ' A' ' 46' ' ' VAL . 95.3 t -138.75 152.21 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.93 0.395 . . . . 1.4 111.441 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -147.78 147.84 30.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.873 -0.603 . . . . 2.33 110.356 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.53 113.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 1.42 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 74' ' ' GLU . 37.6 t -88.32 128.17 35.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.244 0.545 . . . . 1.01 111.551 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -132.08 138.67 48.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.495 -0.775 . . . . 2.48 110.418 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.3 t -125.96 147.08 49.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 1.11 111.16 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.5 m -70.77 124.55 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 2.28 110.885 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -114.0 -175.4 2.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 5.43 110.816 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.23 -46.19 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.826 -0.702 . . . . 4.91 112.309 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -135.62 -173.1 3.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.757 0.313 . . . . 6.69 110.779 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.1 tp -160.64 100.53 1.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.166 -0.47 . . . . 6.81 110.768 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -100.11 -25.24 14.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 7.97 110.808 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.28 -35.23 0.48 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.815 -0.707 . . . . 7.5 112.401 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -64.54 147.61 52.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 6.87 110.661 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.7 m -124.96 -68.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 6.43 110.948 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.75 24.38 9.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 6.9 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.2 m -60.69 118.95 7.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 5.99 110.622 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.17 137.51 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 5.95 111.144 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.15 -45.24 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.518 2.145 . . . . 7.21 112.394 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -159.67 -81.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 7.06 111.229 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.77 -45.37 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.721 -0.752 . . . . 5.83 112.653 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -52.56 149.81 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 7.13 111.096 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -109.46 -172.3 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 4.83 111.254 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.74 167.4 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 2.22 111.024 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.4 p -60.58 111.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 2.18 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HG3' ' CB ' ' A' ' 34' ' ' ASP . 9.2 ptp180 -139.63 148.49 42.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 2.92 111.085 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.48 136.45 16.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 2.14 110.427 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 22.2 pt-20 -106.47 169.94 8.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.145 0.498 . . . . 2.19 111.988 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -107.53 133.24 52.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 3.32 110.334 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 11' ' ' LEU . 15.4 t90 -109.59 122.54 47.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.434 -0.348 . . . . 2.88 111.154 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.82 140.97 48.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.39 110.926 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.5 mp -106.18 178.17 4.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.18 111.015 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.275 -0.869 . . . . 4.96 110.891 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.771 0.319 . . . . 3.77 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.65 140.06 45.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 1.46 110.947 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 t -138.04 -175.71 4.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 1.58 110.995 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.9 pp -69.43 -13.57 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.58 111.575 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.532 ' N ' HD12 ' A' ' 4' ' ' LEU . 93.7 mmm -49.37 -46.34 47.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 2.52 111.052 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.45 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 2.77 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.575 HG21 ' SD ' ' A' ' 36' ' ' MET . 85.0 t -56.42 -27.72 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.59 110.383 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 5' ' ' MET . 74.2 ttt180 -61.23 -48.76 80.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 2.28 110.315 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.73 -41.2 99.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.407 . . . . 2.19 110.135 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.33 -59.54 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 1.87 110.596 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.512 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 3.8 mm? -70.33 -34.36 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 2.1 110.719 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.63 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.09 110.745 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.85 -36.31 18.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.915 -0.584 . . . . 1.99 110.289 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -105.09 107.47 18.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.781 -0.645 . . . . 2.19 110.81 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.27 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 1.53 113.113 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.6 mpt_? -73.73 104.82 4.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.869 0.366 . . . . 2.73 111.574 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.45 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 33.4 mtp -165.21 157.36 15.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.921 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 37.9 mt-10 -108.53 159.19 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 2.7 110.812 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -82.82 -20.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.56 111.42 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -60.28 -46.56 89.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.786 0.327 . . . . 1.98 110.944 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.15 -55.63 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 2.17 111.183 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD21 HG13 ' A' ' 7' ' ' VAL . 4.3 pp -72.25 -29.05 63.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 1.76 111.212 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' HD12 ' A' ' 22' ' ' LEU . 67.3 m -75.64 -29.05 59.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.916 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.61 -39.89 35.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.79 111.064 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.88 -12.44 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 3.77 111.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -118.2 9.96 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.504 0.193 . . . . 1.79 111.497 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 52.55 94.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 2.31 110.674 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 HG23 ' HD2' ' A' ' 29' ' ' PRO . 89.0 m -148.63 139.98 14.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.93 111.021 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.9 Cg_exo -48.94 116.49 2.21 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.467 2.111 . . . . 0.64 112.304 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 52.6 mt-30 -59.93 -44.98 98.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 2.29 111.522 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 86.4 Cg_exo -45.69 -54.71 4.22 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.268 1.978 . . . . 0.71 112.17 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.8 tm? -53.89 -42.19 68.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.6 110.717 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 19' ' ' ALA . 37.2 mm -47.66 -48.85 10.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.2 -0.455 . . . . 0.47 111.302 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.5 t70 -52.56 -42.92 64.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 1.64 110.575 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.98 46.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.39 111.336 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.575 ' SD ' HG21 ' A' ' 7' ' ' VAL . 50.3 ttm -61.42 -52.04 66.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.007 0.432 . . . . 1.66 110.651 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 74' ' ' GLU . 80.1 mt -74.02 -49.44 24.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.901 -0.591 . . . . 1.39 110.535 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.65 -43.87 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 2.33 110.895 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 78.4 ttt180 -67.77 -48.01 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 3.22 111.051 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 tpt -55.36 -47.22 76.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 2.24 110.618 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' ' CB ' ' A' ' 48' ' ' ARG . 5.1 tm-20 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 2.34 110.702 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.53 -24.82 3.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.841 0.353 . . . . 0.47 111.079 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 mmt -84.74 -27.27 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 2.71 110.576 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.55 57.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.85 -0.69 . . . . 0.64 112.529 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -68.92 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.631 0.253 . . . . 2.12 110.929 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 t -153.79 -70.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.557 -0.292 . . . . 1.36 111.247 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.06 129.65 12.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 1.4 111.094 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' CB ' ' HG3' ' A' ' 41' ' ' GLU . 6.5 tmm_? -137.47 120.86 17.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 2.33 110.735 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' TRP . 41.9 mm -116.66 116.16 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.42 111.174 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 85.8 p -75.46 123.98 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 1.01 110.853 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.57 129.67 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 2.48 111.006 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -111.54 167.4 10.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 1.11 110.998 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.7 t -83.22 119.15 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 2.28 110.834 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.52 -42.31 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 5.43 110.938 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.58 -86.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.838 -0.696 . . . . 4.91 112.561 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.404 ' C ' HD22 ' A' ' 57' ' ' LEU . 74.3 m -136.74 172.12 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 6.69 110.838 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 57' ' ' LEU . 2.8 mm? -107.38 20.01 19.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 6.81 111.174 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 t -96.58 -24.69 15.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.857 0.361 . . . . 7.97 110.913 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.03 -99.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 7.5 112.428 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.5 p -137.98 -50.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 6.87 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.9 t -179.85 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 6.43 110.833 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -135.95 -65.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 6.9 110.689 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.8 t 46.08 97.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 5.99 111.454 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.8 t -118.7 133.72 23.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 5.95 110.683 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.59 -50.15 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.293 1.995 . . . . 7.21 112.229 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -142.87 -52.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 7.06 110.841 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.85 48.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 5.83 112.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.17 118.14 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 7.13 111.193 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.27 -179.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 4.83 111.539 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.98 106.93 7.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 2.22 110.992 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 63.8 m -108.27 38.0 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 2.18 110.874 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.403 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 51.3 mtm180 -52.42 157.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.221 0.534 . . . . 2.92 111.667 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.17 110.11 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.43 -0.804 . . . . 2.14 110.0 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.5 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.69 173.64 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.086 0.469 . . . . 2.19 111.43 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.508 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.9 t90 -124.15 124.94 43.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.557 -0.747 . . . . 3.32 109.986 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.512 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 11.3 t90 -102.17 126.3 49.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 2.88 111.048 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.495 ' C ' HD12 ' A' ' 78' ' ' LEU . . . -141.47 141.0 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.014 -0.539 . . . . 0.39 111.079 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 78' ' ' LEU . 4.0 mp -115.53 101.54 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.18 110.84 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.299 -0.858 . . . . 4.96 110.827 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.837 0.351 . . . . 3.77 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.59 151.96 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 1.46 111.089 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m -132.78 -177.81 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.06 -0.518 . . . . 1.58 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.5 pp -80.85 -18.66 46.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.58 111.212 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.473 ' N ' HD12 ' A' ' 4' ' ' LEU . 91.2 mmm -50.94 -44.67 60.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.004 0.431 . . . . 2.52 110.629 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.65 -57.74 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 2.77 110.429 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 22' ' ' LEU . 47.3 t -58.94 -37.64 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 1.59 110.474 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -48.84 -61.31 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.894 -0.594 . . . . 2.28 111.083 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -56.38 -46.95 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.997 0.427 . . . . 2.19 110.387 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.4 mmt -51.51 -60.8 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 1.87 110.69 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 76' ' ' TRP . 68.8 mt -57.82 -38.69 76.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 2.1 110.758 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.68 -28.46 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 1.09 111.061 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.0 mt -104.54 22.08 15.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.95 -0.568 . . . . 1.99 111.254 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -142.05 -68.45 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 2.19 110.845 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.84 -134.21 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 1.53 112.528 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.483 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -59.84 102.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.79 0.329 . . . . 2.73 110.845 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' ARG . 76.3 mtp -159.7 163.31 34.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.227 -0.442 . . . . 2.04 111.203 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' CG ' ' CE3' ' A' ' 75' ' ' TRP . 35.3 mt-10 -106.1 156.33 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 2.7 110.562 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB2' HD11 ' A' ' 37' ' ' LEU . . . -81.93 -20.83 37.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.56 111.023 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 73' ' ' GLN . 64.0 pttt -52.23 -31.08 30.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 1.98 110.769 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -64.17 -58.38 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 2.17 111.094 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 23' ' ' SER . 3.8 pp -65.81 -19.57 65.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 1.76 111.1 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.66 ' N ' HD12 ' A' ' 22' ' ' LEU . 41.0 t -73.96 -44.87 53.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 1.3 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.1 -26.07 56.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.79 111.087 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -67.51 -31.78 72.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 3.77 111.112 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.8 mm? -120.47 12.64 11.64 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.346 -0.388 . . . . 1.79 111.458 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 61.21 104.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 2.31 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' HD2' ' A' ' 29' ' ' PRO . 85.7 m -156.89 138.11 9.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.93 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.1 Cg_exo -48.97 134.33 28.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.125 . . . . 0.64 112.263 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 16.1 mm-40 -77.28 -44.67 2.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 2.29 111.456 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 71.4 Cg_exo -48.35 -41.08 36.0 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.186 1.924 . . . . 0.71 112.138 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -62.72 -44.37 96.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.6 110.664 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.8 mm -48.1 -43.04 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.47 111.191 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.6 t70 -50.56 -39.07 48.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.071 0.463 . . . . 1.64 110.887 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 39' ' ' ARG . . . -80.21 -26.81 38.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.39 111.246 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.414 ' HE1' ' HB1' ' A' ' 19' ' ' ALA . 43.9 ttp -63.23 -53.89 45.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.66 110.729 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.3 mp -74.2 -41.54 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 1.39 110.46 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.92 -46.87 88.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 2.33 110.667 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 37.5 ttm180 -65.55 -42.64 91.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 3.22 110.735 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.494 ' HE2' ' CZ2' ' A' ' 76' ' ' TRP . 24.5 ttt -56.33 -47.67 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 2.24 110.696 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 76' ' ' TRP . 5.4 tm-20 -76.31 -21.58 56.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 2.34 110.726 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -50.23 -25.39 3.61 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.845 0.355 . . . . 0.47 110.849 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 82.7 mtp -84.42 -27.69 27.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 2.71 110.607 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.45 50.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.89 -0.672 . . . . 0.64 112.602 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' ' CH2' ' A' ' 76' ' ' TRP . 74.2 mmtt -68.17 -76.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.626 0.25 . . . . 2.12 110.831 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -151.39 -87.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.517 -0.311 . . . . 1.36 111.156 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.3 145.89 16.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.951 0.405 . . . . 1.4 111.499 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 8.0 ppt_? -145.88 158.87 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 2.33 110.676 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.2 mp -131.8 113.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.819 0.343 . . . . 1.42 111.429 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' GLU . 80.7 p -77.75 119.13 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 1.01 110.675 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -119.0 132.6 56.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 2.48 111.05 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -125.98 165.77 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 1.11 110.935 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -175.63 133.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 2.28 110.87 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -102.84 -71.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 5.43 110.963 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.42 43.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 4.91 112.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.7 t -156.91 -64.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 6.69 110.896 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt 51.74 64.66 1.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 6.81 110.748 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.1 p -111.54 -21.9 11.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 7.97 111.038 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.03 -110.41 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.683 -0.77 . . . . 7.5 112.532 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.6 p -116.21 -36.21 4.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.806 0.336 . . . . 6.87 111.012 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -166.51 -63.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 6.43 111.009 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 63' ' ' SER . 21.7 ptmt -78.73 -46.37 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 6.9 110.938 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 67.1 m 53.49 97.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 5.99 110.953 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.4 t -136.49 92.09 15.57 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 5.95 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.93 -56.32 3.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.497 2.132 . . . . 7.21 112.195 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -165.55 -80.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 7.06 110.985 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.03 19.33 3.69 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.774 -0.727 . . . . 5.83 112.494 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -55.09 94.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 7.13 110.952 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 49.22 -176.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 4.83 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -179.04 119.9 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 2.22 111.18 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 82.5 m -135.13 117.49 15.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 2.18 110.795 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -141.26 127.47 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 2.92 111.113 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' CB ' ' HB3' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -136.33 133.65 37.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 2.14 110.728 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -92.53 176.46 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.088 0.47 . . . . 2.19 110.827 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.481 ' CE3' ' CG ' ' A' ' 18' ' ' GLU . 1.8 t90 -119.84 129.09 54.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 3.32 109.787 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.494 ' CZ2' ' HE2' ' A' ' 40' ' ' MET . 60.6 t-105 -102.42 140.12 37.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.006 0.431 . . . . 2.88 111.037 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB1' ' HG3' ' A' ' 16' ' ' ARG . . . -157.99 134.82 9.85 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.115 -0.493 . . . . 0.39 111.191 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.2 mp -105.97 -178.57 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 1.18 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.285 -0.864 . . . . 4.96 110.999 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.855 0.36 . . . . 3.77 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.08 111.69 24.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 1.46 111.054 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -81.63 -171.26 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 1.58 110.961 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 5' ' ' MET . 4.5 pp -55.88 -19.84 13.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.58 111.352 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.479 ' N ' HD12 ' A' ' 4' ' ' LEU . 25.0 ptt? -56.32 -28.51 59.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 2.52 110.816 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.22 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 2.77 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.427 HG21 ' HB3' ' A' ' 36' ' ' MET . 35.5 m -60.71 -33.56 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 1.59 110.548 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 35.9 ttm180 -50.9 -58.31 6.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.634 . . . . 2.28 110.837 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.19 -44.48 95.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 2.19 111.029 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 mmt -49.14 -47.34 45.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 1.87 111.128 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 17.1 mt -75.51 -33.2 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 2.1 110.859 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.72 -36.58 62.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 1.09 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 mt -52.72 -55.42 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 1.99 111.014 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -107.2 -66.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 2.19 110.959 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.32 166.01 20.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 1.53 112.599 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.6 mpt_? 56.88 69.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 2.73 110.894 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 16' ' ' ARG . 60.3 mtt -160.19 175.15 13.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 2.04 111.124 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.478 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 30.7 mt-10 -115.04 158.2 22.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.956 -0.565 . . . . 2.7 110.649 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -83.27 -17.62 41.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.56 111.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 73' ' ' GLN . 21.1 pttp -58.1 -43.32 87.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 1.98 110.73 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -51.53 -58.39 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 2.17 110.545 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 23' ' ' SER . 4.1 pp -65.29 -19.64 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 1.76 110.685 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.533 ' N ' HD12 ' A' ' 22' ' ' LEU . 48.3 t -76.45 -30.4 57.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.367 -0.378 . . . . 1.3 110.699 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.75 -38.08 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.79 110.937 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.28 -36.5 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 3.77 110.578 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.5 mm? -105.2 -17.2 14.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 1.79 111.363 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' SER . 24.8 mt-30 66.11 89.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.908 0.385 . . . . 2.31 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.406 HG22 ' OG ' ' A' ' 23' ' ' SER . 14.6 t -134.21 146.21 58.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.93 110.8 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 86.0 Cg_exo -40.31 106.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.583 2.189 . . . . 0.64 112.453 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 51.8 mt-30 -53.64 -44.34 97.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 2.29 111.731 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 84.0 Cg_exo -45.7 -29.29 5.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.163 1.909 . . . . 0.71 112.062 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -78.91 -39.57 34.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.51 . . . . 0.6 110.479 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.666 HG23 ' HB3' ' A' ' 19' ' ' ALA . 49.5 mm -50.46 -53.92 10.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.157 -0.474 . . . . 0.47 110.721 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 5.3 t70 -53.22 -30.96 40.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.948 -0.569 . . . . 1.64 110.11 179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.04 -25.1 37.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.494 -0.776 . . . . 0.39 110.755 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 32' ' ' LEU . 63.2 mtt -64.98 -50.62 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.66 110.497 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 19' ' ' ALA . 5.4 mp -77.33 -44.49 29.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.973 -0.558 . . . . 1.39 110.84 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 42.1 tt0 -55.51 -42.06 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 2.33 110.682 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mmp_? -70.29 -48.59 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.99 -0.55 . . . . 3.22 110.863 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.439 ' SD ' ' CE2' ' A' ' 76' ' ' TRP . 37.9 ttm -49.63 -45.45 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.543 . . . . 2.24 110.937 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 4.6 tm-20 -86.35 -19.78 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.032 -0.531 . . . . 2.34 111.027 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.439 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . -50.4 -25.22 3.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.47 111.048 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 ptm -93.3 -26.18 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 2.71 110.671 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.78 60.25 0.37 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.902 -0.666 . . . . 0.64 112.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -76.53 -75.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.524 0.202 . . . . 2.12 110.772 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 78' ' ' LEU . 97.8 t -152.3 -90.34 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.834 -0.166 . . . . 1.36 111.332 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 77' ' ' ALA . 11.3 p -140.66 136.57 35.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.774 0.321 . . . . 1.4 111.205 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' TRP . 7.0 ppt_? -135.45 161.97 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.33 111.122 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' TRP . 45.2 mt -143.54 107.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 1.42 111.155 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.431 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 79.6 p -76.64 124.41 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 1.01 110.959 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.07 143.01 50.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 2.48 110.986 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' THR . 4.5 t -123.95 118.21 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 1.11 111.028 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -148.75 147.9 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 2.28 110.854 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -166.9 -65.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 5.43 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.35 30.64 8.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.666 -0.778 . . . . 4.91 112.409 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 80.4 m 59.39 175.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 6.69 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 57' ' ' LEU . 1.5 pt? -173.39 -179.06 1.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 6.81 110.885 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 m -77.41 -26.31 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 7.97 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.77 46.64 54.33 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.587 -0.816 . . . . 7.5 112.411 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -76.82 -28.53 55.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 6.87 110.932 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -157.46 -178.93 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 6.43 110.803 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -68.87 -41.84 77.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 6.9 110.691 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -59.91 178.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 5.99 110.991 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 71.5 m -122.11 156.57 59.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 5.95 110.731 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.74 -24.44 54.69 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.603 2.202 . . . . 7.21 112.316 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.55 -47.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 7.06 111.019 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 -33.93 5.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 5.83 112.671 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -63.44 111.77 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 7.13 110.952 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.28 176.34 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 4.83 111.142 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.64 172.09 18.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.531 . . . . 2.22 111.131 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 73.4 m 53.59 84.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 2.18 111.159 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 85.2 mtm180 -95.26 155.56 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 2.92 111.14 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 20' ' ' LYS . 10.8 pt20 -147.62 116.09 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 2.14 110.669 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -96.85 179.0 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 2.19 111.049 -179.627 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.478 ' CE3' ' HG3' ' A' ' 18' ' ' GLU . 1.8 t90 -126.51 118.38 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 3.32 110.041 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.685 ' CZ3' HD11 ' A' ' 78' ' ' LEU . 55.5 t90 -99.12 131.0 45.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 2.88 110.799 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -145.41 146.91 31.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.592 . . . . 0.39 110.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.685 HD11 ' CZ3' ' A' ' 76' ' ' TRP . 2.8 mp -94.53 -175.81 3.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 1.18 110.722 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.444 ' N ' HG11 ' A' ' 46' ' ' VAL . 76.7 mtp180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.264 -0.874 . . . . 4.96 110.902 -179.877 . . . . . . . . 1 1 . 1 stop_ save_